[gmx-users] Re: Gromacs 54a7 force field
jalemkul at vt.edu
Thu Jul 19 00:14:30 CEST 2012
On 7/18/12 6:13 PM, Rajat Desikan wrote:
> Thanks for the quick and detailed replies Justin :) This helped clear some
> doubts I had.
> I thought all Charmm ff were compatible in Gromacs? Which Charmm ff were you
> referring to?
CHARMM force fields are largely just sequential additions and refinements of
previous versions. The CHARMM36 parameter set uses CHARMM27 protein parameters
with optimized lipid parameters, IIRC.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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