[gmx-users] topology file

[RAHUL SURESH]

I have tried Ligpargen to generate topology for a molecule and I dont find
it useful. And totally unaware how to use topolgen or topolbuild.

Now I am trying to craft my topology manually. I would like to get some
guidances.

[ CYSH ]
 [ atoms ]
     N    opls_238   -0.500     1
     H    opls_241    0.300     1
    CA    opls_224B   0.140     1
    HA    opls_140    0.060     1
    CB    opls_206    0.060     2
   HB1    opls_140    0.060     2
   HB2    opls_140    0.060     2
    SG    opls_200   -0.335     3
    HG    opls_204    0.155     3
     C    opls_235    0.500     4
     O    opls_236   -0.500     4

here how to determine these forcefields?




NOTE: I have attached the itp file generated online.
-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*