From: "Pu Liu" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[email protected]>
To: [email protected]
Subject: [gmx-users] Are the constraint forces included in the
forcesoutputed in the trr file? Date: Fri, 05 Jan 2007 00:34:03 +0000
Dear GROMACS list members,
Could you please tell me if the constraint forces are included in the
forces outputed in the trr file, or just used to propagate the system?
Constraint forces are not included.
We should state this somewhere in the manual.
Berk.
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