[gmx-users] regarding gen_seed

[Justin Lemkul]

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

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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