[gmx-users] "types" in distance restraints
gmx3 at hotmail.com
Tue Jun 29 13:16:39 CEST 2004
>From: Elena Molteni <molteni at unisi.it>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] "types" in distance restraints
>Date: Tue, 29 Jun 2004 12:09:57 +0200
>dear gmx users,
>I have to use distance constraints on some atoms of my peptide and I'm
>wondering which is the meaning of the keywords "type" and "index" in the
>"distance restraints" section in the topology file. Indeed I have tried
>both "type=1" for all atoms involved and "type=atomic number" and it seems
>to make no difference.
See page 67 of the manual.
type should always be 1, but (currently) it is not used in the code.
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