[gmx-users] topology difference between normal and sort/shuffled run
spoel at xray.bmc.uu.se
Tue Aug 9 22:49:52 CEST 2005
On Tue, 2005-08-09 at 13:04 -0700, leafyoung81-group at yahoo.com wrote:
> I found that topologies are different between a normal
> and sort/shuffled md runs for v3.2.1 and current CVS
> versions. It was not cuased by velocity generation. Is
> this by design?
I'm not aware of this. Do you have an example?
> Yang Ye
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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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