[gmx-users] which version it is

Justin Lemkul jalemkul at vt.edu
Mon Nov 19 17:34:28 CET 2012

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).




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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