[gmx-users] bilayer leaflets separating
David van der Spoel
spoel at xray.bmc.uu.se
Fri Nov 12 16:13:15 CET 2004
On Fri, 2004-11-12 at 10:29 -0300, Marcos Villarreal wrote:
> > Maybe you could try running the CVS code, there was recently something
> > related to PME that is magically fixed in the CVS code. You could also
> > try to run with cut-offs for a while for testing.
> Dear David,
> Could you please explain of what was wrong with PME?
I have one example file of a box with water and methanol that explodes
in 3.2.1 but not in the CVS code. Don't know what the problem is,
You can browse through changes in the code at
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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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