[gmx-users] help!

Rongliang Wu wurl04 at iccas.ac.cn
Sat Nov 19 15:33:39 CET 2005

Hello gmx-users,
        my system has 651 benzene moleccules with density 811.502 g/l in a box 4 4 6(nm), during EM i came to errors like:
Program mdrun, VERSION 3.3
Source code file: nsgrid.c, line: 226

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.

Variable ci has value -2147483648. It should have been within [ 0 .. 200 ]
Please report this to the mailing list (gmx-users at gromacs.org)
-------------------------------------------------------   i don't know why, if anybody knows please let me know.


Best wishes!
Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
wurl04 at iccas.ac.cn

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