[gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI
jalemkul at vt.edu
Wed Nov 8 12:54:54 CET 2017
On 11/8/17 5:52 AM, João Henriques wrote:
> Hi Johannes,
> I'd suggest contacting someone at the MacKerell Lab instead. I believe they
> are responsible for the FF and for its maintenance. Otherwise this issue
> might get lost here and never make it to the people that absolutely need to
> know about it.
I'm responsible for the GROMACS port of the CHARMM force field, so for
issues like these this mailing list or my personal email work fine.
Probably best to post here so people know if there are problems.
> Look at the original paper and send an email to the corresponding authors:
Nothing to do with NAD, but people can always contact Alex with force
field questions. But if he sees the word "GROMACS" anywhere in it, all
he does is forward it to me :)
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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