[gmx-users] Simple L-J Particles' simulation

David van der Spoel spoel at xray.bmc.uu.se
Fri Oct 31 09:13:01 CET 2003


the output you sent does not seem to be consistent. It asks you to select
a group, but mdrun never does that. Besides, the system has 125 atoms and
your selection possibilities had "system 100" as a choice only. 

David van der Spoel, PhD, Assist. 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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