[gmx-users] how to set domain decomposition for inhomogeneous systems?

Mark Abraham 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.

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