[gmx-users] how to set domain decomposition for inhomogeneous systems?
Mark.Abraham at anu.edu.au
Mon Sep 5 05:42:45 CEST 2011
On 5/09/2011 12:28 PM, zhongjin wrote:
> Thanks for your reply, potential energy is always large and positive,
> maybe because the CNT is always freezed during the simulation process.
That would have been a good thing to describe, along with your other
simulation conditions. Giving as much information as you think could
possibly be relevant is much more likely to get a timely solution.
In your shoes, I would check that my nanotube is stable before I
introduce the electrolyte.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users