[gmx-users] List of all bonds form tpr file?
yesint4 at yahoo.com
Thu Nov 27 14:15:04 CET 2008
This works perfectly with new -sys option! Could you please commit this change?
I'm starting to think that ordinary users can really improve the quality of Gromacs now ;)
From: Berk Hess <gmx3 at hotmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Thursday, November 27, 2008 12:56:26 PM
Subject: RE: [gmx-users] List of all bonds form tpr file?
The format that is dumped by gmxdump is now the processed topology.
The bonded interactions are now only stored per molecule type.
I have made a option -sys to gmxdump, the source code is attached.
Could you try if this does what you want and report back?
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