[gmx-developers] bug in 3.2.x not fixed in 3.3.1

David Mobley dmobley at gmail.com
Tue May 5 22:57:27 CEST 2009


There was a very old bug (in 3.3 and 3.2.1) in mdrun -rerun which
caused box size information to be incorrectly read from the gro file
(i.e. starting tpr) rather than the trajectory file. A fixed version
of md.c was developed prior to the release of 3.3.1

I just established that this fix did NOT make it into the 3.3.1
release. Can someone confirm whether it has made it into subsequent
releases? If not, this bug will still be there...


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