towhee_ff Version
          14
Number of Nonbonded Types
          14
Potential Type
Lennard-Jones                 
Classical Mixrule
Lorentz-Berthelot             
Atom Type Number
           1
Nonbond Coefficients
    0.3910000000E+01
    0.1040000000E+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
Sum2003   
Atom Names
CH3sp3gen 
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           2
Nonbond Coefficients
    0.3850000000E+01
    0.7000000000E+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
Sum2003   
Atom Names
CH3sp3mesc
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           3
Nonbond Coefficients
    0.3820000000E+01
    0.8300000000E+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
Sum2003   
Atom Names
CH3sp3etsc
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           4
Nonbond Coefficients
    0.3830000000E+01
    0.7633644799E+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
Sum2003   
Atom Names
CH3sp3oac 
Csp3oac   
CH3sp3oac 
CH3sp3oac 
Atom Type Number
           5
Nonbond Coefficients
    0.3835000000E+01
    0.7520589401E+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
Sum2003   
Atom Names
CH3sp3cac 
Csp3      
CH3sp3    
CH3sp3    
Atom Type Number
           6
Nonbond Coefficients
    0.3312000000E+01
    0.8641521645E+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
Sum2003   
Atom Names
Csp2ac    
Csp2ac    
Csp2ac    
Csp2ac    
Atom Type Number
           7
Nonbond Coefficients
    0.3830000000E+01
    0.7633644799E+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
Sum2003   
Atom Names
CH2sp3oac 
Csp3oac   
CH2sp3oac 
CH2sp3oac 
Atom Type Number
           8
Nonbond Coefficients
    0.3835000000E+01
    0.7520589401E+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
Sum2003   
Atom Names
CH2sp3cac 
Csp3      
CH2sp3    
CH2sp3    
Atom Type Number
           9
Nonbond Coefficients
    0.3930000000E+01
    0.4580000000E+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
Sum2003   
Atom Names
CH2sp3    
Csp3      
CH2sp3    
CH2sp3    
Atom Type Number
          10
Nonbond Coefficients
    0.3830000000E+01
    0.7633644799E+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
Sum2003   
Atom Names
CHsp3oac  
Csp3oac   
CHsp3oac  
CHsp3oac  
Atom Type Number
          11
Nonbond Coefficients
    0.3850000000E+01
    0.3970000000E+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
Sum2003   
Atom Names
CHsp3     
Csp3      
CHsp3     
CHsp3     
Atom Type Number
          12
Nonbond Coefficients
    0.3910000000E+01
    0.1700000000E+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
Sum2003   
Atom Names
Csp3      
Csp3      
Csp3      
Csp3      
Atom Type Number
          13
Nonbond Coefficients
    0.3472000000E+01
    0.8101501712E+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
Sum2003   
Atom Names
Osp3      
Osp3      
Osp3      
Osp3      
Atom Type Number
          14
Nonbond Coefficients
    0.2840000000E+01
    0.9527924074E+02
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Sum2003   
Atom Names
Osp2      
Osp2      
Osp2      
Osp2      
Number of Bonded Terms
           6
Bond Type Number
           1
Bond Style
           2
Bond Coefficients
    0.1540000000E+01
    0.4825000000E+05
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
Csp3       Csp3      
Csp3       Csp2      
Bond Type Number
           2
Bond Style
           2
Bond Coefficients
    0.1480000000E+01
    0.1322988700E+06
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3oac    Osp3      
Bond Type Number
           3
Bond Style
           2
Bond Coefficients
    0.1600000000E+01
    0.1202717000E+06
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3oac    Csp3oac   
Bond Type Number
           4
Bond Style
           2
Bond Coefficients
    0.1400000000E+01
    0.1623667950E+06
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Osp3       Csp2ac    
Bond Type Number
           5
Bond Style
           2
Bond Coefficients
    0.1260000000E+01
    0.1804075500E+06
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Osp2       Csp2ac    
Bond Type Number
           6
Bond Style
           2
Bond Coefficients
    0.1530000000E+01
    0.1202717000E+06
Vibration Order
wild      
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2ac     Csp3      
Number of Angle Terms
          10
Angle Type Number
           1
Angle Style
           1
Angle Coefficients
    0.1140000000E+03
    0.3125000000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
          10
Atom Names
CH3sp3     CH2sp3     CH3sp3    
CH3sp3     CH2sp3     CH2sp3    
CH3sp3     CH2sp3     CHsp3     
CH3sp3     CH2sp3     Csp3      
CH2sp3     CH2sp3     CH2sp3    
CH2sp3     CH2sp3     CHsp3     
CH2sp3     CH2sp3     Csp3      
CHsp3      CH2sp3     CHsp3     
CHsp3      CH2sp3     Csp3      
Csp3       CH2sp3     Csp3      
Angle Type Number
           2
Angle Style
           1
Angle Coefficients
    0.1094000000E+03
    0.3125000000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
          20
Atom Names
CH3sp3     CHsp3      CH3sp3    
CH3sp3     CHsp3      CH2sp3    
CH3sp3     CHsp3      CHsp3     
CH3sp3     CHsp3      Csp3      
CH2sp3     CHsp3      CH2sp3    
CH2sp3     CHsp3      CHsp3     
CH2sp3     CHsp3      Csp3      
CHsp3      CHsp3      CHsp3     
CHsp3      CHsp3      Csp3      
Csp3       CHsp3      Csp3      
CH3sp3     Csp3       CH3sp3    
CH3sp3     Csp3       CH2sp3    
CH3sp3     Csp3       CHsp3     
CH3sp3     Csp3       Csp3      
CH2sp3     Csp3       CH2sp3    
CH2sp3     Csp3       CHsp3     
CH2sp3     Csp3       Csp3      
CHsp3      Csp3       CHsp3     
CHsp3      Csp3       Csp3      
Csp3       Csp3       Csp3      
Angle Type Number
           3
Angle Style
           1
Angle Coefficients
    0.1240000000E+03
    0.3125000000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
CH2sp2     CHsp2      CH3sp3    
CH2sp2     CHsp2      CH2sp3    
Angle Type Number
           4
Angle Style
           1
Angle Coefficients
    0.1170000000E+03
    0.5550538955E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           3
Atom Names
CH3sp3oac  Osp3       Csp2ac    
CHsp3oac   Osp3       Csp2ac    
CH2sp3oac  Osp3       Csp2ac    
Angle Type Number
           5
Angle Style
           1
Angle Coefficients
    0.1240000000E+03
    0.9140649200E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Osp3       Csp2ac     Osp2      
Angle Type Number
           6
Angle Style
           1
Angle Coefficients
    0.1110000000E+03
    0.7216302000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
Osp3       Csp2ac     CH3sp3    
Osp3       Csp2ac     CH2sp3    
Angle Type Number
           7
Angle Style
           1
Angle Coefficients
    0.1250000000E+03
    0.9140649200E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
Osp2       Csp2ac     CH3sp3    
Osp2       Csp2ac     CH2sp3    
Angle Type Number
           8
Angle Style
           1
Angle Coefficients
    0.1140000000E+03
    0.5195737440E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2ac     CH2sp3     CH3sp3    
Angle Type Number
           9
Angle Style
           1
Angle Coefficients
    0.1090000000E+03
    0.6013585000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
Osp3       CH2sp3oac  CHsp3oac  
Osp3       CHsp3oac   CH2sp3oac 
Angle Type Number
          10
Angle Style
           1
Angle Coefficients
    0.1190000000E+03
    0.7216302000E+05
Angle Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
CH2sp3oac  CHsp3oac   CH2sp3oac 
Number of Torsion Terms
          11
Torsion Type Number
           1
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.3550400000E+03
   -0.6819000000E+02
    0.7913200000E+03
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     CH2sp3     Cwild     
Torsion Type Number
           2
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.1416300000E+04
    0.3983000000E+03
    0.1391200000E+03
   -0.9012000000E+03
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     CHsp3      Cwild     
Torsion Type Number
           3
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.1635700000E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           4
Atom Names
Cwild      CHsp3      CHsp3      Cwild     
Cwild      CH2sp3     Csp3       Cwild     
Cwild      CHsp3      Csp3       Cwild     
Cwild      Csp3       Csp3       Cwild     
Torsion Type Number
           4
Torsion Style
          11
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.4797000000E+02
    0.8631000000E+02
   -0.1097100000E+03
    0.2820800000E+03
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2sp3     CHsp2      CH2sp2    
Torsion Type Number
           5
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.6332305005E+04
    0.3639662185E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           3
Atom Names
CH3sp3oac  Osp3       Csp2ac     Osp2      
CH2sp3oac  Osp3       Csp2ac     Osp2      
CHsp3oac   Osp3       Csp2ac     Osp2      
Torsion Type Number
           6
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.3141592654E+01
    0.0000000000E+00
    0.6263028506E+04
    0.4050630584E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           3
Atom Names
CH3sp3oac  Osp3       Csp2ac     Cwild     
CH2sp3oac  Osp3       Csp2ac     Cwild     
CHsp3oac   Osp3       Csp2ac     Cwild     
Torsion Type Number
           7
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.3141592654E+01
    0.0000000000E+00
    0.3699557492E+03
    0.1754764103E+03
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Osp3       Csp2ac     CH2sp3     Cwild     
Torsion Type Number
           8
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.3699557492E+03
    0.1754764103E+03
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Osp2       Csp2ac     CH2sp3     Cwild     
Torsion Type Number
           9
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.3141592654E+01
    0.0000000000E+00
    0.6205538633E+04
   -0.5298329200E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           1
Atom Names
Csp2ac     CH2sp3     CH2sp3     Cwild     
Torsion Type Number
          10
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.3141592654E+01
    0.0000000000E+00
    0.3885016453E+04
   -0.1889107592E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
CH2sp3oac  CHsp3oac   Osp3       Csp2ac    
CHsp3oac   CH2sp3oac  Osp3       Csp2ac    
Torsion Type Number
          11
Torsion Style
          12
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.3141592654E+01
    0.0000000000E+00
    0.1035298794E+04
    0.5143780066E+04
Torsion Order
wild           
Force Field Name
Sum2003   
Number of Atoms with Same Parameters  
           2
Atom Names
CH2sp3oac  CHsp3oac   CH2sp3oac  Osp3      
Osp3       CH2sp3oac  CHsp3oac   Osp3      
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
