FFLD_VERSION 4.1.0
================================================================================
  ATOMTYPES and PARAMETERS for molecule: 

================================================================================

 Total charge of the system =  0.0000
Formal charge of the system =  0.0000


Charges
atom  formal fractional formal 
1       0     0.000  
2       0     0.000  
3       0     0.000  
4       0     0.000  
5       0     0.000  
6       0     0.000  

BCI's             index  type   type    bci        assignement info
 C1      C2          0   141    141     0.0000   exact type       CM-CM
 C1      H3          0   141    146     0.1150   exact type       CM-HC
 C1      H4          0   141    146     0.1150   exact type       CM-HC
 C2      H5          0   141    146     0.1150   exact type       CM-HC
 C2      H6          0   141    146     0.1150   exact type       CM-HC

OPLSAA FORCE FIELD TYPE ASSIGNED
-------------------------------------------------------------------------------
 atom   type  vdw  symbol    charge   sigma    epsilon  quality   comment 
-------------------------------------------------------------------------------
 C1       141  C3   CM      -0.2300   3.5500   0.0760 high   alkene C (RH-C=) all atom
 C2       141  C3   CM      -0.2300   3.5500   0.0760 high   alkene C (RH-C=) all atom
 H3       146  H6   HC       0.1150   2.4200   0.0300 high   alkene H (H-C=)  all atom
 H4       146  H6   HC       0.1150   2.4200   0.0300 high   alkene H (H-C=)  all atom
 H5       146  H6   HC       0.1150   2.4200   0.0300 high   alkene H (H-C=)  all atom
 H6       146  H6   HC       0.1150   2.4200   0.0300 high   alkene H (H-C=)  all atom
------------------------------------------------------------------------------


 Stretch            k            r0    quality         bt        comment
 C1      C2      549.00000    1.34000   high         0  => 0     CM-CM      ==> CM-CM     
 C1      H3      340.00000    1.08000   high         0  => 0     CM-HC      ==> HC-CM     
 C1      H4      340.00000    1.08000   high         0  => 0     CM-HC      ==> HC-CM     
 C2      H5      340.00000    1.08000   high         0  => 0     CM-HC      ==> HC-CM     
 C2      H6      340.00000    1.08000   high         0  => 0     CM-HC      ==> HC-CM     

 Bending                      k       theta0    quality   at  comment
 C2      C1      H3        35.00000  120.00000   high     0   CM-CM-HC          ==> HC-CM-CM         
 C2      C1      H4        35.00000  120.00000   high     0   CM-CM-HC          ==> HC-CM-CM         
 H3      C1      H4        35.00000  117.00000   high     0   HC-CM-HC          ==> HC-CM-HC         
 C1      C2      H5        35.00000  120.00000   high     0   CM-CM-HC          ==> HC-CM-CM         
 C1      C2      H6        35.00000  120.00000   high     0   CM-CM-HC          ==> HC-CM-CM         
 H5      C2      H6        35.00000  117.00000   high     0   HC-CM-HC          ==> HC-CM-HC         

 proper Torsion                     V1      V2      V3      V4    quality  tt  comment
 H3      C1      C2      H5        0.000  14.000   0.000   0.000    high   0   HC-CM-CM-HC          ==> ??-CM-CM-??         
 H3      C1      C2      H6        0.000  14.000   0.000   0.000    high   0   HC-CM-CM-HC          ==> ??-CM-CM-??         
 H4      C1      C2      H5        0.000  14.000   0.000   0.000    high   0   HC-CM-CM-HC          ==> ??-CM-CM-??         
 H4      C1      C2      H6        0.000  14.000   0.000   0.000    high   0   HC-CM-CM-HC          ==> ??-CM-CM-??         

 improper Torsion                   V2    quality  comment
 H3      H4      C1      C2       30.000   high   C=  double bonded
 H5      H6      C2      C1       30.000   high   C=  double bonded


