[gmx-users] domain decomposition Error

shweta singh shwetaasingh7 at gmail.com
Tue Mar 7 06:23:03 CET 2017

Thank you !

On Tue, Mar 7, 2017 at 9:47 AM, MRINAL ARANDHARA <
arandharamrinal at iitkgp.ac.in> wrote:

> I am trying to run a lipid bilayer simulation but during the npt
> equillibration step I am getting the following error
> "1 particles communicated to PME rank 6 are more than 2/3 times the
> cut-off out of the domain decomposition cell of their charge group in
> dimension y"
> I have successfully run the NVT equillibration.What may be the  problem??
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--Thanks and Regards--

Shweta Kumari
M.Sc. Bioinformatics
Central University Of South Bihar, Patna

Project Assistant
Computational Structural Biology lab
CSIR-Institute of Genomics and Integrative Biology
Mathura Road, Sukhdev Vihar
New Delhi 110025

E-mail Id : shwetaasingh7 at gmail.com
Alternate e-mail id :  shweta.kumari at igib.in / shwetabis at cub.ac.in
Mobile No. 8409033301

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