[gmx-users] (no subject)

mahendra awale 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 ]

Please report this to the mailing list (gmx-users at gromacs.org)
*Please advice.

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