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(parent: 6f7febf) | patch
Fixed bug in gmx wham for reading pullx files.
authorJochen Hub <jhub@gwdg.de>
Thu, 21 Jul 2016 10:03:40 +0000 (12:03 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 28 Sep 2016 21:21:25 +0000 (23:21 +0200)
commita177da89afd703a188f29a655d3acbf3329d6874
tree5cca0fb57c736c591a155f8d0369642b1426647etree | snapshot
parent6f7febfafa9b949d5723110571ff251f04ef90cecommit | diff
Fixed bug in gmx wham for reading pullx files.

Because the order of columns in the pullx files has changed recently, gmx wham
did not pick the reaction coordinate from pullx.xvg if the COM of the pull
groups were written. gmx wham was tested with various pull options and geometries.

Change-Id: If487e0493992c76649dc9a596c8df56d331abf22
src/gromacs/gmxana/gmx_wham.cpp diff | blob | history
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