[gmx-users] (no subject)
spoel at xray.bmc.uu.se
Sat Nov 19 16:37:23 CET 2005
On Sat, 2005-11-19 at 21:28 +0800, Rongliang Wu wrote:
> Hello gmx-users,
> i've got a question: why after EM
> and MD, the presure of my system is
> still large and it fluctuates
> rather fiercely,about 500
> bar, while the potential has come
> to equilibrization. i've refered to
> others and they have similar
> problems. is it possible that a
> system has presure of hundreds of
> Best wishes!
> Rongliang Wu
> wurl04 at iccas.ac.cn
did you use P coupling?
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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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