On 9/10/13 4:35 PM, Rama Krishna Koppisetti wrote:
H
i Justin,
The force field that I constructed with OPLS + Berger lipids
.
Similar to
your Bilayer tutorial.
Presumably you are following Chris Neale's half-epsilon, double pairlist method
then? In any case, you're defining the same interaction multiple times using
different parameters. Something has gone wrong somewhere along the way.
-Justin
--
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Justin A. Lemkul, Ph.D.
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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