Dear Gromacs users, I am trying to run a simulation annealing using Gromacs of a small molecule. Does anybody knows if there is a protocol to set up the annealing parameters for Gromacs; initial temperature, final temperature, annealing-npoints, annealing-ntimes and the annealing-temp? My total simulation time is 10ns and I collect frames every 200 fs. Kindly, Lazaro -- 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.