[gmx-users] waterbug fixed + infinite systems support improved
kay.gottschalk at weizmann.ac.il
Sun Sep 7 17:25:02 CEST 2003
On Sunday, September 7, 2003, at 06:30 PM, David wrote:
> On Sun, 2003-09-07 at 17:12, Kay Gottschalk wrote:
>> Could you please specify a bit what the water-bug is? I just started
>> some water calculations...
> this involved simulations of something solvated in water, on more than
> processor, where the first processor did not have any water molecules
> left. A simple case would be a protein with just a patch of water on
> You would notice it as a segmentation violation.
> Groeten, David.
> 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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Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
Herzl St. 1
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