Dear Mark, thanks for your suggestion...the position restrain is very good idea which I did it before..but I just restrain protein and after some time ligand start to come out..I think my problem is that I don't know how to restrain ligand? It will be nice of you if tell me how to restrain ligand? thanks
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php