----- Original Message ----- From: you zou <[email protected]> Date: Friday, May 28, 2010 14:41 Subject: [gmx-users] add missing atom To: [email protected]
> Hi everyone, > I have one question about adding atoms that are missing in residue. This atom > is OG in SER amino acid. I don't know how can I add this atom to my residue. > If I have to add this atom manually how can I find coordinates of that? Or If > there is server or software to do this I will be happy if you suggest me > its.> There's no automated GROMACS tool, and I haven't used any other particular tool for the task. For just one atom + hydrogen, you're probably fine to guess approximate coordinates and use EM to fix it. Mark -- gmx-users mailing list [email protected] http://lists.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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
