[gmx-users] Can we run a NPT simulation with fixed lengths in x and y direction?
David van der Spoel
spoel at xray.bmc.uu.se
Mon Dec 18 08:49:35 CET 2006
Hu Zhongqiao wrote:
> Hi, everyone
>
> Can we run a NPT simulation with fixed lengths in x and y direction but
> with variable length in z?
>
> Zhongqiao Hu
>
> Lab E5-04-27
> Tel: 65161946(O)
> Department of Chemical and Biomolecular Engineering
> National University of Singapore
> 117576, Singapore
>
>
>
>
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yes. use compressibility = 0 0 1e-5
--
David.
________________________________________________________________________
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://folding.bmc.uu.se
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