[gmx-users] Using external force field with GROMACS

Souparno Adhikary souparnoa91 at gmail.com
Fri Jul 28 10:53:21 CEST 2017


I want to use the latest CHARMM36m force field which I downloaded from
MacKerell group's website. I use a common HPC system and do not have an
administrator account.

Can you give me an idea how I can add this forcefield to the pdb2gmx
options? We are using quite an old version of GROMACS- 4.5.6 (I don't know
why they are not eager to update it).


Souparno Adhikary,
Department of Microbiology,
University of Calcutta.

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