On Fri, Apr 13, 2012 at 18:30, Lara Bunte <[email protected]> wrote: > Is there no way only to use the .pdb file? How do I create from a .pdb a rtp > file. With pdb2gmx and than grompp?
You can also provide a .pdb file to the -s option of g_select. And you don't need to provide a -f file in that case if you simply want to analyze the coordinates in a single configuration of that .pdb file. Best regards, Teemu -- 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
