[gmx-users] Range Checking error

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Mon Aug 1 06:36:15 CEST 2005


Recently I met this error when doing MD simulation (no
position-restrained MD)

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 2872. It should have been within
[ 0 .. 2744 ]
Please report this to the mailing list
(gmx-users at gromacs.org)

It will be tedious to show the system information
here. Is there some hint for such kind of error?


Yang Ye

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