Hi gromacs users, I did md simulation of the protein-ligand complex.
As shown in figure, after 50 ns, part of ligand molecule leaves protein. I remind that I resolve pbc problem at first. https://1drv.ms/u/s!AveJH4Y30cH0tFp_XYCqkrCd7Kqq What is the reason of this state? Best, Andrew -- 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.
