This is what you are looking for: http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts?highlight=scripting
Terry On Tue, Nov 15, 2011 at 11:42 AM, Liu, Liang <liu4...@gmail.com> wrote: > I am wondering if there is a flag to make the command select SOL > automatically instead of pressing some number each time? I have thousands > of structures, it is really time-consuming to select one by one. > > -- > Best, > Liang Liu > > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
