Dear gromacs users, I have one peptide which has 25 residues. I have done simulation for 100ns. When I presented my analysis in lab, I was suggested to do investigation of my simulation by simulated annealing. Then I have gone through the simulated annealing notes which I found on gromacs website and I got some idea to do simulated annealing. I added the annealing points and temperatures in my .mdp file as follow.
;simulated annealing annealing Surya Graduate student India. -- 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.
