Hi gromacs users, After MD simulation of protein-ligand complex for 5ns, can we view protein folding?
How to do it? I want to ascertain if there is any conformation change in protein where the ligand binds. Is it possible? We observe hydrogen bonds through molecular docking. Hence, I want to make observation through MD simulation which is not obtained through docking. Can someone help me regarding this? Thank you very much in advance. 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.
