[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 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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