inputformat
'Towhee'
randomseed
1302552
random_luxlevel
3
random_allow_restart
T
ensemble 
'uvt'
temperature
298.15d0
nmolty
2
nmolectyp
1 50
chempot
0 -500.0d0
numboxes
1 
stepstyle
'moves'
nstep
1000
printfreq
100
blocksize
200
moviefreq
10000000
backupfreq
100000
runoutput
'blocks'
pdb_output_freq
1000000
trmaxdispfreq
1
volmaxdispfreq
10000000
potentialstyle
'internal'      
ffnumber
1
ff_filename
/usr/share/towhee/ForceFields/towhee_ff_Dubb2004
classical_potential
'Lennard-Jones'               
classical_mixrule
'Explicit'
lshift
.false.
ltailc
.true.
rmin  
1.0d0 
rcut  
9.5d0
rcutin 
9.5d0
electrostatic_form
'none'
linit   
T
initboxtype
'dimensions'
initstyle
'coords' 'full cbmc'
initlattice
'none' 'center'
initmol
1 0
inix iniy iniz
1    1    1
hmatrix
20.0511d0 0.0d0 0.0d0
0.0d0   19.87570d0  0.0d0
0.0d0 0.0d0  26.73640d0
pmuvtcbswap
1.0d0
          pmuvtcbmt
          0.0d0 1.0d0
pm1boxcbswap
0.0d0
          pm1cbswmt
          0.0d0 1.0d0
pmavb1    
0.0d0     
          pmavb1in
          0.5d0
          pmavb1mt
          0.2d0 1.0d0
          pmavb1ct
          0.33d0 1.0d0
          0.33d0 1.0d0
          avb1rad
          5.0d0
pmavb2
0.0d0     
          pmavb2in
          0.5d0
          pmavb2mt
          0.2d0 1.0d0
          pmavb2ct
          0.33d0 1.0d0
          0.33d0 1.0d0
          avb2rad
          5.0d0
pmavb3
0.0d0     
          pmavb3mt
          0.2d0  1.0d0
          pmavb3ct
          0.33d0 1.0d0
          0.33d0 1.0d0
          avb3rad
          5.0d0
pmcb
0.35d0
          pmcbmt
          0.0d0 1.0d0 
          pmall
          0.0d0 0.5d0
pmback
0.0d0
          pmbkmt
          0.0d0 1.0d0
pmpivot
0.0d0
          pmpivmt
          0.0d0 1.0d0
pmconrot
0.0d0
          pmcrmt
          0.0d0 1.0d0
pmcrback
0.0d0
          pmcrbmt
          0.0d0 1.0d0
pmplane
0.0d0
          pmplanebox
          1.0d0
          planewidth
          3.0d0
pmrow
0.0d0
          pmrowbox
          1.0d0
          rowwidth
          3.0d0
pmtraat
0.00d0
          pmtamt
          0.0d0 1.0d0 
          rmtraa
          0.5d0 
          tatraa
          0.5d0
pmtracm
0.00d0
          pmtcmt
          0.0d0 1.0d0      	
          rmtrac
          0.5d0 
          tatrac
          0.5d0
pmrotate
1.0d0
          pmromt  
          0.0d0 1.0d0
          rmrot
          0.05d0
          tarot
          0.5d0
cbmc_formulation
'Martin and Siepmann 1999 + Martin and Thompson 2004'
cbmc_setting_style
'explicit'
cbmc_nb_one_generation
'uniform' 'energy bias'
mapmolty
2  
lcreatemap
T                      
cubex cubey cubez
10 10 10  
nch_nb_one
1 1
nch_nb
1 1
cbmc_dihedral_generation
'ideal'
nch_tor
1 360
nch_tor_connect
1 360
cbmc_bend_generation
'ideal'
nch_bend_a
1 1000
nch_bend_b
1 1000
cbmc_bond_generation
'r^2 with bounds'
vibrang
0.85 1.15	
nch_vib
1 1
two_bond_fixed_endpoint_bias_style
'none'
three_bond_fixed_endpoint_bias_style
'none'
#silicalite
input_style
'basic connectivity map'
nunit
576
nmaxcbmc
576
lpdbnames
F
forcefield
'Dubb2004'
charge_assignment
'none
unit ntype 
   1 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   2 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   3 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   4 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   5 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   6 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   7 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   8 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
   9 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  10 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  11 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  12 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  13 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  14 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  15 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  16 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  17 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  18 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  19 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  20 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  21 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  22 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  23 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  24 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  25 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  26 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  27 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  28 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  29 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  30 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  31 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  32 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  33 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  34 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  35 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  36 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  37 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  38 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  39 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  40 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  41 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  42 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  43 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  44 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  45 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  46 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  47 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  48 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  49 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  50 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  51 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  52 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  53 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  54 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  55 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  56 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  57 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  58 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  59 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  60 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  61 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  62 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  63 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  64 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  65 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  66 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  67 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  68 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  69 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  70 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  71 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  72 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  73 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  74 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  75 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  76 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  77 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  78 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  79 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  80 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  81 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  82 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  83 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  84 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  85 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  86 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  87 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  88 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  89 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  90 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  91 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  92 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  93 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  94 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  95 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  96 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
  97 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
  98 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
  99 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 100 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 101 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 102 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 103 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 104 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 105 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 106 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 107 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 108 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 109 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 110 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 111 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 112 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 113 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 114 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 115 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 116 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 117 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 118 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 119 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 120 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 121 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 122 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 123 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 124 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 125 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 126 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 127 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 128 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 129 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 130 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 131 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 132 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 133 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 134 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 135 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 136 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 137 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 138 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 139 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 140 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 141 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 142 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 143 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 144 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 145 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 146 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 147 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 148 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 149 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 150 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 151 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 152 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 153 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 154 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 155 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 156 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 157 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 158 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 159 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 160 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 161 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 162 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 163 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 164 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 165 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 166 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 167 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 168 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 169 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 170 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 171 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 172 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 173 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 174 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 175 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 176 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 177 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 178 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 179 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 180 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 181 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 182 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 183 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 184 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 185 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 186 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 187 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 188 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 189 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 190 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 191 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 192 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 193 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 194 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 195 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 196 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 197 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 198 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 199 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 200 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 201 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 202 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 203 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 204 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 205 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 206 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 207 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 208 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 209 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 210 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 211 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 212 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 213 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 214 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 215 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 216 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 217 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 218 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 219 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 220 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 221 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 222 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 223 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 224 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 225 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 226 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 227 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 228 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 229 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 230 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 231 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 232 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 233 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 234 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 235 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 236 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 237 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 238 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 239 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 240 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 241 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 242 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 243 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 244 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 245 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 246 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 247 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 248 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 249 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 250 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 251 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 252 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 253 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 254 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 255 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 256 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 257 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 258 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 259 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 260 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 261 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 262 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 263 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 264 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 265 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 266 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 267 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 268 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 269 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 270 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 271 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 272 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 273 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 274 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 275 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 276 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 277 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 278 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 279 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 280 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 281 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 282 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 283 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 284 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 285 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 286 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 287 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 288 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 289 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 290 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 291 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 292 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 293 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 294 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 295 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 296 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 297 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 298 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 299 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 300 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 301 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 302 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 303 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 304 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 305 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 306 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 307 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 308 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 309 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 310 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 311 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 312 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 313 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 314 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 315 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 316 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 317 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 318 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 319 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 320 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 321 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 322 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 323 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 324 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 325 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 326 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 327 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 328 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 329 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 330 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 331 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 332 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 333 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 334 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 335 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 336 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 337 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 338 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 339 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 340 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 341 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 342 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 343 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 344 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 345 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 346 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 347 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 348 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 349 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 350 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 351 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 352 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 353 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 354 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 355 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 356 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 357 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 358 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 359 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 360 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 361 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 362 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 363 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 364 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 365 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 366 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 367 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 368 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 369 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 370 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 371 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 372 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 373 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 374 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 375 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 376 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 377 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 378 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 379 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 380 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 381 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 382 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 383 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 384 'Si    '   
vibration
 0
improper torsion
 0
unit ntype 
 385 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 386 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 387 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 388 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 389 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 390 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 391 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 392 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 393 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 394 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 395 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 396 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 397 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 398 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 399 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 400 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 401 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 402 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 403 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 404 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 405 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 406 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 407 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 408 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 409 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 410 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 411 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 412 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 413 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 414 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 415 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 416 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 417 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 418 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 419 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 420 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 421 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 422 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 423 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 424 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 425 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 426 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 427 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 428 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 429 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 430 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 431 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 432 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 433 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 434 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 435 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 436 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 437 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 438 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 439 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 440 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 441 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 442 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 443 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 444 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 445 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 446 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 447 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 448 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 449 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 450 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 451 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 452 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 453 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 454 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 455 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 456 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 457 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 458 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 459 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 460 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 461 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 462 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 463 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 464 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 465 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 466 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 467 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 468 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 469 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 470 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 471 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 472 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 473 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 474 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 475 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 476 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 477 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 478 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 479 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 480 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 481 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 482 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 483 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 484 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 485 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 486 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 487 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 488 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 489 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 490 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 491 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 492 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 493 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 494 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 495 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 496 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 497 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 498 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 499 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 500 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 501 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 502 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 503 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 504 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 505 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 506 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 507 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 508 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 509 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 510 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 511 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 512 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 513 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 514 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 515 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 516 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 517 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 518 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 519 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 520 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 521 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 522 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 523 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 524 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 525 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 526 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 527 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 528 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 529 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 530 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 531 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 532 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 533 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 534 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 535 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 536 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 537 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 538 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 539 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 540 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 541 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 542 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 543 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 544 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 545 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 546 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 547 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 548 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 549 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 550 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 551 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 552 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 553 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 554 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 555 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 556 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 557 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 558 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 559 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 560 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 561 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 562 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 563 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 564 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 565 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 566 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 567 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 568 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 569 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 570 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 571 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 572 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 573 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 574 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 575 'O     '  
vibration
 0
improper torsion
 0
unit ntype 
 576 'O     '  
vibration
 0
improper torsion
 0
#Methane
input_style
'basic connectivity map'
nunit
1
nmaxcbmc
1
lpdbnames
F
forcefield
'Dubb2004'
charge_assignment
'none
unit ntype    
1    'CH4'
vibration
0
improper torsion
0

