[gmx-users] Converting OPLS_AA to gromacs

이 선주 sunnytov at hotmail.com
Thu Aug 10 22:51:54 CEST 2006


Dear Gromacs people

Recently I am trying to parameterize small molecules.
Unfortunately the gromacs force field does not contain atom types 
necessary.
So I am thinking about adopting atom types from OPLS_AA force field.
It will be grateful if anyone can tell me guide lines for the converting.


Thank you
Sunjoo





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