[gmx-users] Charmm 36m
bieniekmat at gmail.com
Wed May 15 22:34:03 CEST 2019
Yes, the 36m (CHARMM36m) is the new set of parameters recommended by the
authors, so it is best to stick to the recommendation unless you know
exactly what you are doing.
Huang, J. et al., 2016. CHARMM36m: an improved force field for folded and
intrinsically disordered proteins. *Nature Methods*, 14(1), pp.71–73.
Available at: http://www.nature.com/doifinder/10.1038/nmeth.4067 [Accessed
November 20, 2017].
On Wed, 15 May 2019 at 20:54, Coire Gavin-Hanner <cgavinhann at haverford.edu>
> 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?
> Best regards,
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