[gmx-users] protein-DNA complex
jalemkul at vt.edu
Mon Feb 29 13:50:58 CET 2016
On 2/29/16 4:25 AM, Mahboobeh Eslami wrote:
> dear Justin
> thanks for your answer
> I have another question. Which of the following items is better in mdp file for
> the equilibration and MD production steps?
> tc-grps = Protein-DNA SOL-ION
> tc-grps = Protein DNA SOL-ION
Probably irrelevant if the protein and DNA are of reasonably large size. I
would probably couple the complex together.
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
More information about the gromacs.org_gmx-users