Hello everyone, I am new to using gromacs. I am currently studying an enzyme catalysing a transfer reaction. there are two substrates and I want to restraint specific interactions between different parts of the ligands and the protein. As I understand so far from reading various discussions in the group, restraining such interactions is possible through pull code, But we can assign only one pull group0, I am wondering if there is better way to restraint multiple interactions between multiple molecules in a single simulation. If not through pull-code, what will be the best way to ensure many specific intermolecular restraints?
thank you very much in advance. regards, Saravanan -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
