On 9/20/16 6:48 AM, Sathish Kumar wrote:
I want to run simulation of system of
peptide with carbon nanotube. And I want to run multiple simulations for
the same initial structure using different random initial velocities. For
that which values I have to use in the case of gen_seed=-1. Instead of -1
which values Can I use for gen_seed? is there any other way to assign
different random velocities.
gen_seed takes any integer as a value. Using -1 is typically fine for just
about everything, unless you need a record of exactly which seed was used (but
that's printed to mdout.mdp and md.log, anyway).
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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