RE: Bad global exclusion count.

From: Pijush Ghosh (pijush.ghosh_at_ndsu.edu)
Date: Tue May 10 2005 - 14:12:06 CDT

Hello Boyang

    This could happen because of several reasons, check the following
parameters in your configuration file and see if they make life better for
you

 

i) the periodic box size you are using is not smaller
than the size of your structure

ii) the PME grid size is appropriate, make it same size of
your periodic box.

iii) The cutoff and switchdist used are not too small

 

Or other thing, make sure your system is not turning unstable (some
metastable state…..velocity showing nan nan nan nan….), because of sudden
rise in temp. and pressure, in that case raise them in small steps.

 

 

Goodluck!!!!!!!

 

Pijush Ghosh

PhD Student

Department of Civil Engineering

North Dakota State University

Fargo. ND. 58105. USA

Phone:

     701-231-6491(Lab)

     701-231-4341(Res)

  _____

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Boyang Wang
Sent: Tuesday, May 10, 2005 11:57 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Bad global exclusion count.

 

Hi all, I came across a message "Bug alert: Bad global exclusion count"

and NAMD stopped after this message.

      Does anyone know what is wrong?

      Thanks for your time.

Boyang.

 

  _____

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