[gmx-users] How to mearg Ligand protein and Lipid

Justin Lemkul 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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