[gmx-users] RE: Gromacs 2 CHARMM

lloyd riggs lloyd.riggs at gmx.ch
Tue Oct 2 14:07:17 CEST 2012

Dear All,

Does anyone have a small script for converting Gromacs (GROMOS type) ff to CHARMM format, or an amino acid top file in CHARMM format for such.  I have seen some scripts, but they work only with different topology types.  Thought I would ask, otherwise I sit here for three days playing with text editors,


Stephan Watkins

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