[gmx-users] pdb2gmx -merge non interactive

[Wojtyczka, André]

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

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