[gmx-developers] CVS updated / testers wanted
spoel at xray.bmc.uu.se
Sun May 11 13:12:08 CEST 2003
I have updated the CVS repository with a number of bugfixes and have
updated the gmxtests such that they are actually useful for testing.
The plan is to release a version (3.1.5 or 3.2.0) in the very near
future that incorporates a number of important fixes and enhancements.
- PME bug with triclinic boxes
- Neighboursearching bug fix (for twin range cut-offs only)
- OPLS force field issues (combination rule)
- New analysis library
- Better OS X support
- More NMR refinement options
- Updates to analysis tools
I would like to ask for your cooperation in testing the software. mdrun
is obviously the most important program, and I am confident that there
are no major bugs in it. Everything else could be broken however, due to
changes in the underlying gmxlib.
To download the test set, please issue the following
cvs [ flags ] checkout gmxtest
In side the gmxtest directory issue:
gmxtest help or
and a set of 26 different tests will be performed. Please report
failures to the list.
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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