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
--
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/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/mailing_lists/users.php
