[gmx-users] Re: Gromacs 54a7 force field

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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