[gmx-users] RE: Error in mdrun

[Nimesh Jain]

Hi,

I keep getting the following error when I do mdrun:

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.

I moved the particles sufficiently apart so that there are no overlaps. I
still get this error. Can someone tell me what else can I do?

Please let me know if you need any other info.

Thanks,
Nimesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100930/982444d4/attachment.html>