[gmx-developers] New maintenance release: gromacs-4.5.4

Rossen Apostolov rossen at kth.se
Mon Mar 21 20:23:56 CET 2011

Dear Gromacs community,

A new maintenance release of Gromacs is available for download at 

Some notable updates in this release:

* Fixed pdb2gmx picking up force field from local instead of library 
* 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

Big thanks to all developers and users!

Happy simulating!

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