[gmx-users] asymmetric distribution of water

David van der Spoel spoel at xray.bmc.uu.se
Fri Nov 23 19:09:52 CET 2007

pragya chohan wrote:
> hi ... i want to start a simulation with asymmetric distribution of 
> water on the bilayer (upper leaftlet having more and lower one less). 
> has anyone ever encountered a paper with such a simulation. Is it possible?
Only when you don't use periodic boundary conditions. Then of course you 
get artifacts.
But it is trivial to do, using editconf.

> Thanks for any help
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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://folding.bmc.uu.se

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