From: "Owen, Michael" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: <gmx-users@gromacs.org>
Subject: [gmx-users] distance restraints: -merge
Date: Tue, 26 Sep 2006 11:10:15 -0500
Fellow gmx-users,
I would like to constrain the distance of an ion to specific atoms of a
protein. I recently read a message in which the use of the option -merge
in the pdb2gmx program was suggested. How can I use this option to form
these constraints?
The -merge option is useful for merge two molecules.
I assume that in your case the ion consists of just one atom.
Then it is easier to just add this one atom by hand at the end of atoms
of your protein and add the distance restraint.
Berk.
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