towhee_ff Version
          14
Number of Nonbonded Types
          32
Potential Type
Lennard-Jones                 
Classical Mixrule
Geometric                     
Atom Type Number
           1
Nonbond Coefficients
    0.3730000000E+01
    0.1479456804E+03
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1604260000E+02
Element
 C
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH4       
null      
null      
null      
Atom Type Number
           2
Nonbond Coefficients
    0.3775000000E+01
    0.1041658362E+03
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH3-C1    
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           3
Nonbond Coefficients
    0.3905000000E+01
    0.8806290500E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH3-C2    
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           4
Nonbond Coefficients
    0.3910000000E+01
    0.8051465600E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH3-C3    
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           5
Nonbond Coefficients
    0.3960000000E+01
    0.7296640700E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH3-C4    
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           6
Nonbond Coefficients
    0.3800000000E+01
    0.8554682200E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH3-X     
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           7
Nonbond Coefficients
    0.3905000000E+01
    0.5937955880E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH2sp3    
Csp3      
CH2sp3    
CH2sp3    
Atom Type Number
           8
Nonbond Coefficients
    0.3800000000E+01
    0.5937955880E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH2sp3-SR 
Csp3      
CH2sp3    
CH2sp3    
Atom Type Number
           9
Nonbond Coefficients
    0.3800000000E+01
    0.5937955880E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH2sp3-N  
Csp3      
CH2sp3    
CH2sp3    
Atom Type Number
          10
Nonbond Coefficients
    0.3850000000E+01
    0.7045032400E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CH2sp2    
Csp2      
CH2sp2    
CH2sp2    
Atom Type Number
          11
Nonbond Coefficients
    0.3850000000E+01
    0.4025732800E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CHsp3     
Csp3      
CHsp3     
CHsp3     
Atom Type Number
          12
Nonbond Coefficients
    0.3800000000E+01
    0.4025732800E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CHsp3-N   
Csp3      
CHsp3     
CHsp3     
Atom Type Number
          13
Nonbond Coefficients
    0.3800000000E+01
    0.5786990900E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CHsp2     
Csp2      
CHsp2     
CHsp2     
Atom Type Number
          14
Nonbond Coefficients
    0.3800000000E+01
    0.5786990900E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CHsp2-N   
Csp2-N    
CHsp2-N   
CHsp2-N   
Atom Type Number
          15
Nonbond Coefficients
    0.3750000000E+01
    0.5535382600E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
CHarom    
Carom     
Carom     
Carom     
Atom Type Number
          16
Nonbond Coefficients
    0.3800000000E+01
    0.2516083000E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1201100000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Csp3      
Csp3      
Csp3      
Csp3      
Atom Type Number
          17
Nonbond Coefficients
    0.3750000000E+01
    0.5283774300E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1201100000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Csp2      
Csp2      
Csp2      
Csp2      
Atom Type Number
          18
Nonbond Coefficients
    0.3750000000E+01
    0.5283774300E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1201100000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Csp2-N    
Csp2-N    
Csp2-N    
Csp2-N    
Atom Type Number
          19
Nonbond Coefficients
    0.3650000000E+01
    0.7553062760E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1201100000E+02
Element
 C
Bond Pattern
sp   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Csp       
Csp       
Csp       
Csp       
Atom Type Number
          20
Nonbond Coefficients
    0.1396853576E+01
    0.5927310913E+05
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.3545300000E+02
Element
Cl
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Cl-       
null      
null      
null      
Atom Type Number
          21
Nonbond Coefficients
    0.2732948575E+00
    0.3623159520E+09
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
F-        
null      
null      
null      
Atom Type Number
          22
Nonbond Coefficients
    0.9638147944E+00
    0.6621138447E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
F         
F         
null      
null      
Atom Type Number
          23
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
H         
H         
H         
H         
Atom Type Number
          24
Nonbond Coefficients
    0.3984220190E+00
    0.3145103750E+07
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.6941000000E+01
Element
Li
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Li+       
null      
null      
null      
Atom Type Number
          25
Nonbond Coefficients
    0.3250000000E+01
    0.8554682200E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1400700000E+02
Element
 N
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Nsp2      
Nsp2      
Nsp2      
Nsp2      
Atom Type Number
          26
Nonbond Coefficients
    0.3200000000E+01
    0.8551317870E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1400700000E+02
Element
 N
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Ns        
Ns        
Ns        
Ns        
Atom Type Number
          27
Nonbond Coefficients
    0.3070000000E+01
    0.8554682200E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Osp3      
Osp3      
Osp3      
Osp3      
Atom Type Number
          28
Nonbond Coefficients
    0.3000000000E+01
    0.8554682200E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Osp3-COO  
Osp3-COO  
Osp3-COO  
Osp3-COO  
Atom Type Number
          29
Nonbond Coefficients
    0.2960000000E+01
    0.1056754860E+03
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Osp2      
Osp2      
Osp2      
Osp2      
Atom Type Number
          30
Nonbond Coefficients
    0.6000228602E+00
    0.8087409643E+06
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.2299000000E+02
Element
Na
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
Na+       
null      
null      
null      
Atom Type Number
          31
Nonbond Coefficients
    0.3700000000E+01
    0.1258041500E+03
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.3206600000E+02
Element
 S
Bond Pattern
p    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
S-HSH     
S         
S         
S         
Atom Type Number
          32
Nonbond Coefficients
    0.3550000000E+01
    0.1258041500E+03
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.3206600000E+02
Element
 S
Bond Pattern
p    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
OPLS-ua   
Atom Names
S-RSR     
S         
S         
S         
Number of Bonded Terms
          17
Bond Type Number
           1
Bond Style
           1
Bond Coefficients
    0.1530000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Csp3      
Bond Type Number
           2
Bond Style
           1
Bond Coefficients
    0.1500000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Csp3       Csp2      
Csp3       Carom     
Bond Type Number
           3
Bond Style
           1
Bond Coefficients
    0.1458000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Csp       
Bond Type Number
           4
Bond Style
           1
Bond Coefficients
    0.1340000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2       Csp2      
Bond Type Number
           5
Bond Style
           1
Bond Coefficients
    0.1522000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2-N     Csp3      
Bond Type Number
           6
Bond Style
           1
Bond Coefficients
    0.1400000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Carom      Carom     
Bond Type Number
           7
Bond Style
           1
Bond Coefficients
    0.1335000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2-N     Nsp2      
Bond Type Number
           8
Bond Style
           1
Bond Coefficients
    0.1449000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Nsp2      
Bond Type Number
           9
Bond Style
           1
Bond Coefficients
    0.1157000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp        Ns        
Bond Type Number
          10
Bond Style
           1
Bond Coefficients
    0.1229000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2-N     Osp2      
Bond Type Number
          11
Bond Style
           1
Bond Coefficients
    0.1430000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Osp3      
Bond Type Number
          12
Bond Style
           1
Bond Coefficients
    0.1820000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       S         
Bond Type Number
          13
Bond Style
           1
Bond Coefficients
    0.9170000000E+00
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          F         
Bond Type Number
          14
Bond Style
           1
Bond Coefficients
    0.9600000000E+00
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          Nsp2      
Bond Type Number
          15
Bond Style
           1
Bond Coefficients
    0.9450000000E+00
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          Osp3      
Bond Type Number
          16
Bond Style
           1
Bond Coefficients
    0.1340000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          S         
Bond Type Number
          17
Bond Style
           1
Bond Coefficients
    0.2040000000E+01
Vibration Order
wild      
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
S          S         
Number of Angle Terms
          20
Angle Type Number
           1
Angle Style
           0
Angle Coefficients
    0.1120000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Cwild      CH2sp3     Cwild     
Cwild      CHsp3      Cwild     
Angle Type Number
           2
Angle Style
           0
Angle Coefficients
    0.1094700000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp3       Cwild     
Angle Type Number
           3
Angle Style
           0
Angle Coefficients
    0.1240000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CHsp2      Cwild     
Angle Type Number
           4
Angle Style
           0
Angle Coefficients
    0.1200000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Cwild      Csp2       Cwild     
Cwild      Carom      Cwild     
Angle Type Number
           5
Angle Style
           0
Angle Coefficients
    0.1080000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           3
Atom Names
Cwild      CH2sp3     Osp3      
Cwild      CHsp3      Osp3      
Cwild      Csp3       Osp3      
Angle Type Number
           6
Angle Style
           0
Angle Coefficients
    0.1166000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp2-N     Nsp2      
Angle Type Number
           7
Angle Style
           0
Angle Coefficients
    0.1205000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp2-N     Osp2      
Angle Type Number
           8
Angle Style
           0
Angle Coefficients
    0.1229000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Nsp2       Csp2-N     Osp2      
Nsp2       CHsp2-N    Osp2      
Angle Type Number
           9
Angle Style
           0
Angle Coefficients
    0.1800000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp        Ns        
Angle Type Number
          10
Angle Style
           0
Angle Coefficients
    0.1219000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2-N     Nsp2       Cwild     
Angle Type Number
          11
Angle Style
           0
Angle Coefficients
    0.1198000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Csp2-N     Nsp2       H         
CHsp2-N    Nsp2       H         
Angle Type Number
          12
Angle Style
           0
Angle Coefficients
    0.1183000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
CH2sp3     Nsp2       H         
CHsp3      Nsp2       H         
Angle Type Number
          13
Angle Style
           0
Angle Coefficients
    0.1204000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          Nsp2       H         
Angle Type Number
          14
Angle Style
           0
Angle Coefficients
    0.1085000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           3
Atom Names
CH2sp3     Osp3       H         
CHsp3      Osp3       H         
Csp3       Osp3       H         
Angle Type Number
          15
Angle Style
           0
Angle Coefficients
    0.1144000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
Cwild      C32sp3     S         
Cwild      CH2sp3     S         
Angle Type Number
          16
Angle Style
           0
Angle Coefficients
    0.9200000000E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
H          S          H         
Angle Type Number
          17
Angle Style
           0
Angle Coefficients
    0.9600000000E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      S          H         
Angle Type Number
          18
Angle Style
           0
Angle Coefficients
    0.9800000000E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
S          S          H         
Angle Type Number
          19
Angle Style
           0
Angle Coefficients
    0.9900000000E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      S          Cwild     
Angle Type Number
          20
Angle Style
           0
Angle Coefficients
    0.1030000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      S          S         
Number of Torsion Terms
          13
Torsion Type Number
           1
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.6858842258E+03
    0.8630164690E+02
   -0.1097012188E+03
   -0.2820529043E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
CH2sp2     CHsp2      CH2sp3     CH3sp3    
Torsion Type Number
           2
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.1365226636E+04
    0.3839542658E+03
    0.1341072239E+03
   -0.8688034599E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
CH3sp3     CHsp3      CH2sp3     CH3sp3    
Torsion Type Number
           3
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.3829478326E+03
   -0.7925661450E+02
    0.8069078181E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
CH3sp3     CH2sp3     CH2sp3     CH3sp3    
Torsion Type Number
           4
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.3550193113E+03
   -0.6818584930E+02
    0.7913081035E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
CH3sp3     CH2sp3     CH2sp3     CH2sp3    
CH2sp3     CH2sp3     CH2sp3     CH2sp3    
Torsion Type Number
           5
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.2098413222E+03
   -0.2918656280E+02
    0.1879514001E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     Osp3       H         
Torsion Type Number
           6
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.1766290266E+03
   -0.5334095960E+02
    0.7699213980E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     CH2sp3     Osp3      
Torsion Type Number
           7
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.2158799214E+03
    0.1972609072E+03
    0.3145103750E+02
   -0.1738613353E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CHsp3      Osp3       H         
Torsion Type Number
           8
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.1635453950E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp3       Osp3       H         
Torsion Type Number
           9
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.1056754860E+03
   -0.5200743561E+02
   -0.1844288839E+02
    0.3061318186E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     S          H         
Torsion Type Number
          10
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.3673481180E+03
   -0.2699757059E+03
    0.5812151730E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     S          Cwild     
Torsion Type Number
          11
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.3527548366E+04
    0.3980443306E+03
   -0.2181443961E+04
    0.5052294664E+03
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      S          S          Cwild     
Torsion Type Number
          12
Torsion Style
          13
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.7045032400E+03
    0.5334095960E+04
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      Csp2-N     Nsp2       Cwild     
Torsion Type Number
          13
Torsion Style
          13
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.5032166000E+04
Torsion Order
wild           
Force Field Name
OPLS-ua   
Number of Atoms with Same Parameters  
           2
Atom Names
wild       Csp2-N     Nsp2       H         
wild       CHsp2-N    Nsp2       H         
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
