Hi gromacs users,
I have run 2ns simulation of protein ligand complex using NVT ensemble (after equilibration). I want to know whether there is a structural/conformational change in the protein especially in the active site where, the ligand forms hydrogen bonds with the protein during simulation. Can we visualize it? Is it possible? Please let me know. Thanks, Neha -- 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.
