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Subject: CVS commit: pkgsrc/biology/gromacs
From: Aleksej Saushev
Date: 2011-03-23 06:36:29
Message id: 20110323053630.1A961175DD@cvs.netbsd.org
Log Message:
Update to Gromacs 4.5.4:
* Fixed pdb2gmx picking up force field from local instead of
library directory
* Made pdb2gmx vsite generation work again for certain His namings.
* Fixed incorrect virial and pressure averages with certain
nst... values (instantaneous values correct)
* Fixed incorrect cosine viscosity output
* New -multidir alternative for mdrun -multi option
* Several minor fixes in analysis tools
* Several updates to the program documentation
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