Fw: [gmx-users] Reg:1 particles communicated to PME node 0 are more than 2/3 times the cut-off

[Justin Lemkul]

On 2/10/13 3:24 PM, Shima Arasteh wrote:
> The pressure convergence seems normal. I can not understand the reason of this fatal error.
> I guess everything sounds normal, so what's the problem? Is it observable in my log file? Also potential , total energy are finite!
>

http://www.gromacs.org/Documentation/Terminology/Blowing_Up#Diagnosing_an_Unstable_System

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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