[gmx-users] Charmm to Gromacs itps

Justin Lemkul jalemkul at vt.edu
Fri Jan 31 14:55:28 CET 2020



On 1/31/20 8:25 AM, atb files wrote:
>          
>
>          
>              The files are given on the following server:https://terpconnect.umd.edu/~jbklauda/memb.htmlThey have simulated systems using NAMD.

If the individual topologies are not available anywhere, just a PSF, 
then you will have to write your own converter program to transform the 
PSF into GROMACS .top format. PSF is very verbose so this should be 
straightforward.

-Justin

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Justin A. Lemkul, Ph.D.
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