[gmx-users] Charmm for Proteins

Peter C. Lai pcl at uab.edu
Thu Sep 13 17:28:44 CEST 2012

charmm27 is the canonical charmm protein FF, which is supported by gromacs.
Note that if you are using gromacs prior to 4.5.5 to use -nochargegrp when
using pdb2gmx when parameterizing your protein.

On 2012-09-13 04:19:16PM +0100, Steven Neumann wrote:
> Dear All,
> Could you please write me which is the latest version of Charmm force
> field for proteins? I want to study protein folding in explicit
> solvent. Is it available in Gromacs?
> Steven
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Peter C. Lai			| University of Alabama-Birmingham
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