On 8/12/13 2:13 PM, Li, Hualin wrote:
Hi Justin,
Thanks a lot. I found them. Other than changing the source code, is it
possible to write a script-like code to run with mdrun in order to apply this
wall potential please?
Doubtful. Again, I would try to get in contact with the authors of whatever
study you read and see what they did. They will probably even give you their
code so you don't have to do any new modifications.
-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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