inputformat
'Towhee'
randomseed
1302002
random_luxlevel
3
random_allow_restart
T
ensemble
'nvt'
temperature
3500.0d0
nmolty
1
nmolectyp
800
numboxes
2
stepstyle
'cycles'
nstep
1
printfreq
1   
blocksize
2
moviefreq
1000
backupfreq
10000
runoutput
'none'
pdb_output_freq
1
pressurefreq
100000
trmaxdispfreq
100
volmaxdispfreq
100
potentialstyle
'internal'
ffnumber
1
ff_filename
/usr/share/towhee/ForceFields/towhee_ff_Vink2001
classical_potential
'Stillinger-Weber' 
classical_mixrule
'Explicit'
electrostatic_form
'none'
linit   
F
initboxtype
'number density'
initstyle
'full cbmc'
'full cbmc'
initlattice
'simple cubic'
'simple cubic'
initmol
400
400
inix iniy iniz
8    8    8 
8    8    8 
box_number_density
0.37496E+02
0.20907E+00
pmvol     
0.002d0   
          pmvlpr
          1.0d0
          rmvol
          0.1d0
          tavol
          0.5d0
pm2boxrbswap
0.008d0
          pm2rbswmt
          1.0d0
          pm2rbswpr
          1.0d0
pm1boxcbswap
0.058d0
          pm1cbswmt
          1.0d0
pmavb1    
0.108d0     
          pmavb1in
          0.5d0
          pmavb1mt
          1.0d0
          pmavb1ct
          1.0d0
          avb1rad
          3.0d0
pmavb2
0.158d0     
          pmavb2in
          0.5
          pmavb2mt
          1.0d0
          pmavb2ct
          1.0d0
          avb2rad
          3.0d0
pmavb3
0.208d0     
          pmavb3mt
          1.0d0
          pmavb3ct
          1.0d0
          avb3rad
          3.0d0
pmtracm
1.0d0
          pmtcmt          
          1.0d0      	
          rmtrac
          0.5d0 
          tatrac
          0.5d0
cbmc_setting_style
'widom ideal'
input_style
'basic connectivity map'
nunit 
1
nmaxcbmc
1
lpdbnames
.false.
forcefield
'Vink2001'
charge_assignment
'none'
unit ntype
1    'Si'
vibration
0
improper torsion
0
