[gmx-users] version 3.3 - Range checking error
spoel at xray.bmc.uu.se
Fri Nov 25 16:03:25 CET 2005
On Fri, 2005-11-25 at 14:19 +0000, Joanne Hanna wrote:
> Not knowing how significant differences would have to be to be a porblem. Here is the first 500 steps output (at every 100 steps).
Hm not very spectacular differences. Please send me a compressed tpr
file off the list. As soon as I succeed compiling gromacs on an Itanium
system I'll test it. Did you try it on other architectures by the way?
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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