[gmx-users] CHARMM36 older version (GROMACS)
joao.m.a.henriques at gmail.com
Wed Oct 25 10:11:18 CEST 2017
Aren't they the same force field though? As far as I've noticed they're
identical if you use them for proteins (without any fancy residues). The
latest one just includes more atom types, etc. From my understanding the
latest one is more "complete", but both are essentially the same thing.
I could be wrong though...
P.S.: I do have both versions, so email me privately if you absolutely must
have the earlier version.
On Wed, Oct 25, 2017 at 9:59 AM, Simon Kit Sang Chu <simoncks1994 at gmail.com>
> Hi everyone,
> I plan to use CHARMM36-nov2016.ff for my simulation. However, MacKerell Lab
> <http://mackerell.umaryland.edu/charmm_ff.shtml> webpage does not seem to
> provide CHARMM36-nov2016. Only CHARMM36-jul2017 is provided.
> I tried to google "CHARMM36-nov2016" but failed to see any official
> download page. Perhaps it is a dumb question - is there any place I can
> download older versions of CHARMM forcefield?
> Please pardon my abruptness.
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