[gmx-users] Regarding tc-grps

Justin Lemkul jalemkul at vt.edu
Thu Sep 29 16:57:00 CEST 2016

On 9/29/16 10:31 AM, Anurag Dobhal wrote:
> Dear Gromacs users,
> I am simulating a polymer chain without any solvent using OPLS AA force
> field, how many tc-grps  should I put in the .mdp file ? as there is only
> one 1 group in the topol.top file.

Then what option do you have?  If you've got a polymer and nothing else, there's 
no way to create separate tc-grps, anyway.



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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