Hallo André, Check the wiki: http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive
Oliver On Fri, Dec 18, 2009 at 10:59, Wojtyczka, André <[email protected]> wrote: > Hi List, > > is it possible to have the -merge option in pdb2gmx set to non-interactive? > > I need to merge 8 copies of a protein into one definition (.top) because if > i don't do that all the chains are included into the .top-file. It is then not > possible for me (in an easy way) to include my restraints into the same .top > file > because that would lead to a wrong order. > > To cut a long story short... I need -merge in a script and there i don't need > interactivity at all ;) > > Thx for your time > André -- 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
