[gmx-users] Query regarding generation of gaps between lipid molecules after minimisation even after using position restraints
jalemkul at vt.edu
Mon Feb 9 13:28:35 CET 2015
On 2/9/15 5:07 AM, Antara mazumdar wrote:
> I minimised a heterogenous lipid system of 1464 DOPC and DOPG and applied
> position restraints as well as had vdwradii.dat file for genbox step. Yet
> after minimisation, there are gaps between the lipid molecules. Pls suggest
> a remedy.
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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