[gmx-users] regarding gen_seed
jalemkul at vt.edu
Tue Sep 20 17:56:47 CEST 2016
On 9/20/16 6:48 AM, Sathish Kumar wrote:
> Dear gromacs-users,
> 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
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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