[gmx-users] Charmm 36m
jalemkul at vt.edu
Thu May 16 19:55:46 CEST 2019
On 5/15/19 3:54 PM, Coire Gavin-Hanner wrote:
> Dear Gromacs users,
> I am trying to use the charmm36m forcefield to simulate a protein. The most recent release of charmm36 includes 36m and the ability to toggle between the two. Is 36m the default state?
Yes, though it is possible to use the old C36 parameters with the
(hopefully very clear) define statement:
define = -DUSE_OLD_C36
Otherwise, the parameters used are C36m.
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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