[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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-- 
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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