[gmx-users] Charmm 36m

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
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