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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.