From: Pijush Ghosh (pijush.ghosh_at_ndsu.edu)
Date: Tue May 10 2005 - 14:12:06 CDT
This could happen because of several reasons, check the following
parameters in your configuration file and see if they make life better for
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.
Department of Civil Engineering
North Dakota State University
Fargo. ND. 58105. USA
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
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.
Do You Yahoo!?
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