[gmx-users] how to set domain decomposition for inhomogeneous systems?
Mark.Abraham at anu.edu.au
Sun Sep 4 18:23:42 CEST 2011
On 4/09/2011 7:37 PM, zhongjin wrote:
> Dear GMX user,
> I am using GMX4.5.4 (double precision) to simulate electrolyte
> confined in a CNT with polarizable model. The CNT diameter is 3.0 nm
> and length is 6.0 nm. The box is 5.0*5.0 *6.0, out of CNT is nothing,
> that is to say, the system is inhomogeneous,please see it by clicking
> this link http://photo.163.com/hzj1000/list/#aid=228653982&m=0&page=1
I think all your runs are broken, because as your potential energy is
always large and positive. Check out
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