[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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