pkgsrc/biology/gromacs
asau 928bfcc9fd 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
2011-03-23 05:36:29 +00:00
..
patches Update to GROMACS 4.5.1 2010-09-03 20:52:39 +00:00
DESCR
distinfo Update to Gromacs 4.5.4: 2011-03-23 05:36:29 +00:00
Makefile Update to Gromacs 4.5.4: 2011-03-23 05:36:29 +00:00
options.mk
PLIST Update to Gromacs 4.5.4: 2011-03-23 05:36:29 +00:00