On 11/19/12 11:28 AM, Thomas Piggot wrote:
Hi,
As I understand it, the current and most up to date CHARMM protein force field
(as included in both the charmm27 and charmm36 force field directories) is the
CHARMM22 protein force field with the CMAP correction. In other words there
would be no difference between the two options originally mentioned.
There is indeed a CHARMM36 protein force field that is distinct from the one
included in CHARMM27 (which is, as you say, CHARMM22 + CMAP).
http://www.charmm.org/ubbthreads/ubbthreads.php?ubb=showflat&Number=30472
-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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