towhee_ff Version
          14
Number of Nonbonded Types
          14
Potential Type
Hard Sphere                   
Classical Mixrule
Arithmetic                    
Atom Type Number
           1
Nonbond Coefficients
    0.1000000000E+01
Mass
    0.6022045700E+00
Element
hs
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
hs1.0     
hs-fix-1.0
hs        
hs        
Atom Type Number
           2
Nonbond Coefficients
    0.0000000000E+00
Mass
    0.6022045700E+00
Element
hs
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
hs0.0     
hs-flex   
hs        
hs        
Atom Type Number
           3
Nonbond Coefficients
    0.5000000000E+00
Mass
    0.6022045700E+00
Element
hs
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
hs-fix-0.5
hs        
hs        
hs        
Atom Type Number
           4
Nonbond Coefficients
    0.2250000000E+01
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
O         
O         
O         
O         
Atom Type Number
           5
Nonbond Coefficients
    0.6500000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
H         
H         
H         
H         
Atom Type Number
           6
Nonbond Coefficients
    0.4400000000E+01
Mass
    0.3545300000E+02
Element
Cl
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
Cl        
null      
null      
null      
Atom Type Number
           7
Nonbond Coefficients
    0.2350000000E+01
Mass
    0.2299000000E+02
Element
Na
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
Na        
null      
null      
null      
Atom Type Number
           8
Nonbond Coefficients
    0.2250000000E+01
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
FJ-O      
FJ-O      
FJ-O      
null      
Atom Type Number
           9
Nonbond Coefficients
    0.6500000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
FJ-H      
FJ-H      
FJ-H      
null      
Atom Type Number
          10
Nonbond Coefficients
    0.1000000000E+01
Mass
    0.6022045700E+00
Element
tr
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
trimer    
trimer    
trimer    
null      
Atom Type Number
          11
Nonbond Coefficients
    0.2250000000E+01
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
R-tan-O   
R-tan-O   
R-tan-O   
null      
Atom Type Number
          12
Nonbond Coefficients
    0.6500000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
R-tan-H   
R-tan-H   
R-tan-H   
null      
Atom Type Number
          13
Nonbond Coefficients
    0.2250000000E+01
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
FJ-tan-O  
FJ-tan-O  
FJ-tan-O  
null      
Atom Type Number
          14
Nonbond Coefficients
    0.6500000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
HardSphere
Atom Names
FJ-tan-H  
FJ-tan-H  
FJ-tan-H  
null      
Number of Bonded Terms
           6
Bond Type Number
           1
Bond Style
           1
Bond Coefficients
    0.1000000000E+01
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           2
Atom Names
hs-fix-1.0 hs-fix-1.0
trimer     trimer    
Bond Type Number
           2
Bond Style
           1
Bond Coefficients
    0.7500000000E+00
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
hs-fix-1.0 hs-fix-0.5
Bond Type Number
           3
Bond Style
           1
Bond Coefficients
    0.5000000000E+00
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
hs-fix-0.5 hs-fix-0.5
Bond Type Number
           4
Bond Style
           2
Bond Coefficients
    0.1000000000E+01
    0.1006433230E+06
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
hs-flex    hs-flex   
Bond Type Number
           5
Bond Style
           1
Bond Coefficients
    0.9572000000E+00
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           2
Atom Names
O          H         
FJ-O       FJ-H      
Bond Type Number
           6
Bond Style
           1
Bond Coefficients
    0.1450000000E+01
Vibration Order
wild      
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           2
Atom Names
R-tan-O    R-tan-H   
FJ-tan-O   FJ-tan-H  
Number of Angle Terms
           4
Angle Type Number
           1
Angle Style
           6
Angle Coefficients
Angle Order
wild           
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
hs         hs         hs        
Angle Type Number
           2
Angle Style
           6
Angle Coefficients
Angle Order
wild           
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
FJ-H       FJ-O       FJ-H      
Angle Type Number
           3
Angle Style
           0
Angle Coefficients
    0.1045200000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           2
Atom Names
H          O          H         
R-tan-H    R-tan-O    R-tan-H   
Angle Type Number
           4
Angle Style
           0
Angle Coefficients
    0.6000000000E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
trimer     trimer     trimer    
Number of Torsion Terms
           1
Torsion Type Number
           1
Torsion Style
           8
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.1000000000E+01
Torsion Coefficients
Torsion Order
wild           
Force Field Name
HardSphere
Number of Atoms with Same Parameters  
           1
Atom Names
hs         hs         hs         hs        
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
