Hi,
> 2 Thomas Steinbrecher:
> A. My prmtop contains "1" - so systems setup done as periodic:
> 0 0 0 0 0 0 0 1 26
> 0
> However: minimization restart (output) file contains no dimension info. The
> DNA turorial examples does the same, but runs w/ no problem.
if you run a periodic prmtop file with a restart that contains no box
dimension you will get the exact error that you see, Ewald trying to fit a
sphere into a box of zero size. So my guess is that you have to go back to
your minimization and check why your restart file from there does not have
the box parameters in it. If one of the tutorials runs with such a setup,
my guess is that is rather an undetected error than something that was
intended...
Regards,
Thomas
Dr. Thomas Steinbrecher
The Scripps Research Institute
10550 N. Torrey Pines Rd.
San Diego CA 92037, USA
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Received on Wed Jul 02 2008 - 06:07:44 PDT
