[gmx-users] (no subject)
mahendra123awale at gmail.com
Thu Feb 7 09:44:43 CET 2008
i am doing *I am doing a steepest descent for the initial mdrun for a
peptide and it
** gives me the following error. *
*following step i have done *
*nohup mdrun -deffnm pr &*
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 .. 4913 ]
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