[gmx-users] Problem in equilibration of POPS lipid bilayer
jalemkul at vt.edu
Wed Jul 8 13:59:25 CEST 2015
On 7/8/15 7:57 AM, Padmani Sandhu wrote:
> Hello all,
> I have generated a mixed lipid bilayer constituting POPS and POPC lipid
> molecules. I am trying to perform MD simulation but the POPS lipid
> molecules are tearing apart on energy minimization.
So either your coordinates are bad, the topology has a problem, your .mdp
settings are wrong, or whatever means you've prepared the system is inadequate.
Unfortunately you've provided no useful information, so it's pointless to guess.
Refer to http://www.gromacs.org/Documentation/Terminology/Blowing_Up
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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