--- - branch: MAIN date: Wed Mar 23 05:36:29 UTC 2011 files: - new: '1.7' old: '1.6' path: pkgsrc/biology/gromacs/Makefile pathrev: pkgsrc/biology/gromacs/Makefile@1.7 type: modified - new: '1.6' old: '1.5' path: pkgsrc/biology/gromacs/PLIST pathrev: pkgsrc/biology/gromacs/PLIST@1.6 type: modified - new: '1.8' old: '1.7' path: pkgsrc/biology/gromacs/distinfo pathrev: pkgsrc/biology/gromacs/distinfo@1.8 type: modified id: 20110323T053629Z.a216caea0e1de0180882272bdd612e5ad9b34dc7 log: | 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 module: pkgsrc subject: 'CVS commit: pkgsrc/biology/gromacs' unixtime: '1300858589' user: asau