Dear all, I'm using the option -ss to select the SS bonds I want to preserve when so problem occur with multiple bonds possible. The problem is that pdb2gmx asks me if I want to preserve the bound between an atom or not. It is very difficult to do this automatically. Is there a way to tell pdb2gmx which one I would like to preserve without using thoses question? Directly in the command line?
Thank you. Pierre THEVENET -- 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
