CVS commit: pkgsrc/biology/gromacs

["Aleksej Saushev" <asau%netbsd.org@localhost>]

Module Name:    pkgsrc
Committed By:   asau
Date:           Sat Jan 14 00:38:18 UTC 2012

Modified Files:
        pkgsrc/biology/gromacs: Makefile PLIST distinfo

Log Message:
Update to Gromacs 4.5.5

Notable changes in Gromacs 4.5.5:

  * Improved pdb2gmx -chainsep option and reintroduced the -merge option.
  * Fixed mdrun file appending truncating files to 0 bytes when
    continuation runs stopped before writing new output.
  * Fixed COM pulling with multiple constraints checking the
    convergence of one constraint instead of all.
  * Fixed some dihedrals in sugars in Gromos53a5/6 working on the wrong atoms.
  * AmberGS force field is now based on Amber94 instead of Amber96.
  * Moved hydrogens in Charmm27 protein termini to separate
    charge groups and added ACE and CT3 residue types.
  * Many small fixes which avoid termination with fatal errors
    or crashes in mdrun and tools.
  * Many small updates to the manual pages of programs.


To generate a diff of this commit:
cvs rdiff -u -r1.7 -r1.8 pkgsrc/biology/gromacs/Makefile
cvs rdiff -u -r1.6 -r1.7 pkgsrc/biology/gromacs/PLIST
cvs rdiff -u -r1.8 -r1.9 pkgsrc/biology/gromacs/distinfo

Please note that diffs are not public domain; they are subject to the
copyright notices on the relevant files.