[gmx-users] Charmm 36m

Justin Lemkul 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.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129


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