FFLD_VERSION 4.1.0
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  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  

BCI's             index  type   type    bci        assignement info
 C1      H2          0   135    140     0.0600   exact type       CT-HC
 C1      H3          0   135    140     0.0600   exact type       CT-HC
 C1      H4          0   135    140     0.0600   exact type       CT-HC
 C1      H5          0   135    140     0.0600   exact type       CT-HC

OPLSAA FORCE FIELD TYPE ASSIGNED
-------------------------------------------------------------------------------
 atom   type  vdw  symbol    charge   sigma    epsilon  quality   comment 
-------------------------------------------------------------------------------
 C1       135  C1   CT      -0.2400   3.5000   0.0660 high   C: alkanes
 H2       140  H1   HC       0.0600   2.5000   0.0300 high   H: alkanes
 H3       140  H1   HC       0.0600   2.5000   0.0300 high   H: alkanes
 H4       140  H1   HC       0.0600   2.5000   0.0300 high   H: alkanes
 H5       140  H1   HC       0.0600   2.5000   0.0300 high   H: alkanes
------------------------------------------------------------------------------


 Stretch            k            r0    quality         bt        comment
 C1      H2      340.00000    1.09000   high         0  => 0     CT-HC      ==> HC-CT     
 C1      H3      340.00000    1.09000   high         0  => 0     CT-HC      ==> HC-CT     
 C1      H4      340.00000    1.09000   high         0  => 0     CT-HC      ==> HC-CT     
 C1      H5      340.00000    1.09000   high         0  => 0     CT-HC      ==> HC-CT     

 Bending                      k       theta0    quality   at  comment
 H2      C1      H3        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         
 H2      C1      H4        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         
 H2      C1      H5        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         
 H3      C1      H4        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         
 H3      C1      H5        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         
 H4      C1      H5        33.00000  107.80000   high     0   HC-CT-HC          ==> HC-CT-HC         

 proper Torsion                     V1      V2      V3      V4    quality  tt  comment


