[gmx-users] potential across surface again

David van der Spoel spoel at xray.bmc.uu.se
Fri Aug 6 21:32:38 CEST 2004


did you say which gmx version you are using?

Anyway, I can reproduce your results but I don't understand them... It 
could have to do with the fact that your atoms are not centered in the 
box, but then it still shouldn't matter.

-- 
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://xray.bmc.uu.se/~spoel
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