Hi, thanks for your answer! I think this only refers to the -ff force field selection. I tried several scripting solutions to pass "y" to the pdb2gmx questions whether to do the merging or not.
Maybe my wires are just crossed but i did not find any hint to get rid of this questions. < Can't you just do one of these: < < echo "5" | pdb2gmx -f a.gro < < or < < pdb2gmx -f a.gro << EOF < 5 < EOF < < --original message-- << 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 ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------ Forschungszentrum Juelich GmbH 52425 Juelich Sitz der Gesellschaft: Juelich Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 Vorsitzende des Aufsichtsrats: MinDir'in Baerbel Brumme-Bothe Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender), Dr. Ulrich Krafft (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt, Prof. Dr. Sebastian M. Schmidt ------------------------------------------------------------------------------------------------ ------------------------------------------------------------------------------------------------ -- 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
