On 11/4/13 1:31 AM, Gianluca Interlandi wrote:
Is there a way to tell from the log file whether positional restraints are
really activated or not?
Yes, there is a position restraint energy term written to the .log and .edr
files if the restraints are active.
-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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