[gmx-users] protein _DNA_ligand simulation

Justin Lemkul jalemkul at vt.edu
Wed Nov 23 23:58:04 CET 2016

On 11/22/16 6:11 PM, maria khan wrote:
> dear Justin lemkul.
> Thanks alot..
> You talked about CHARMM36 , bt in ligand -protein manuals of gromacs there
> is no option for this force field.. while CHARMM27 has been mentioned..is
> CHARMM36 available now in latest version of gromacs??

Of course.  I posted a pertinent announcement about this just the other day.


> secondly ,,the recent forcefield parmbsc1 that u mentioned,which software
> support this one forcefield.can gmx support it?

If provided files in the correct format, yes.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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