[gmx-developers] New maintenance release: 4.5.5

Rossen Apostolov rossen at kth.se
Wed Sep 21 14:49:13 CEST 2011

Dear Gromacs community,

A new maintenance release of Gromacs is available for download at 

Some notable updates in this release:

  * 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
  * 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.

Big thanks to all developers and users!

Happy simulating!
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