[gmx-users] New maintenance release: 4.5.5
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!
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users