[gmx-users] Quick equilibration
David van der Spoel
spoel at xray.bmc.uu.se
Sat Jan 12 19:30:02 CET 2008
Myunggi Yi wrote:
> Dear users,
>
> I'm equilibrating membrane system.
> I have a big x and y dimension box.
> How can I shrink the box in x-y direction quickly but z-direction normally?
>
Different pressures (100-1000 bar) or different tau_p. Take care that
you do not couple too strong or your system will become unstable.
>
> --
> Best wishes,
>
> MYUNGGI YI
> ==================================
> KLB 419
> Institute of Molecular Biophysics
> Florida State University
> Tallahassee, FL 32306
>
> Office: (850) 645-1334
> http://www.scs.fsu.edu/~myunggi
>
>
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>
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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