[gmx-users] RE: GROMACS96 proper dihetral parameters/OPLS

Junfang.Zhang at csiro.au Junfang.Zhang at csiro.au
Thu Nov 22 03:56:21 CET 2012

Dear GROMACS users

I am just wondering if you could help with transferring the GROMACS96 proper dihetral parameters to the OPLS proper dihedral parameters or point me to some references.

GROMACS96 dihedral:

OPLS dihedral:

My second question is if CO2 has been parameterised in GROMACS96 force field.

Thank you in advance


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