[gmx-users] force=nan in frame 0
Mark.Abraham at anu.edu.au
Sun Nov 11 16:03:58 CET 2007
dongsheng zhang wrote:
> Dear Mark,
> Thank you for your reply. I have used gromacs before. In fact, I have built
> this FF before, and using it successfully. My old computer was crashed, so I
> need to do it again. The potential energies looked fine in the md.log. Even
> I turn off all potentials. I still get the initial foce = nan. Could you
> please give me any suggest about it?
Can't tell. You still haven't told us what you were trying to do when it
crashed. EM, MD? Did you minimize and/or equilibrate? Does this
installation run other systems?
More information about the gromacs.org_gmx-users