On 12/3/13 10:02 AM, jwill...@andrew.cmu.edu wrote:
Does anyone know exactly what g_msd -trestart does?  I have a 60ns
trajectory and used -trestart 1000 and the results said:

"Used 30 restart points spaced 1000 ps over 60001 ps"

Shouldn't it be 60 restart points?

Maybe this will help:




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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