[gmx-users] How to mearg Ligand protein and Lipid
jalemkul at vt.edu
Wed Sep 3 13:43:52 CEST 2014
On 9/3/14, 12:46 AM, RINU KHATTRI wrote:
> hello justin
> i made tc_group for protein ligand and popc but i have merged
> protein_ligand_popc and sol_cl i made only two group now im running
> long simulation what can i do is this two tc_group can create the
> wrong analysis.
No idea. I doubt it will lead to any severe artifacts. Technically speaking,
anything other than one thermostat is "incorrect" but commonplace because of
algorithmic problems in many thermostats.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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