[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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