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
--
========================================
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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