From: Yongcheng Zhou (yzhou_at_math.colostate.edu)
Date: Wed Feb 18 2015 - 18:29:33 CST
Dear all, I was tring to do a sterred residue-based coarse grained
simulation of a very small protein 1AJJ, but got the following error
before the the first step of the simulation:
FATAL ERROR: Low global exclusion count! System unstable or
pairlistdist or cutoff too small
There actually is a thread in this maillist on a similar problem years
ago:
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2010-2011/3805.html
but no final solution was given unfortunately. I am attaching the pdb,
psf, and ref files here, and the info below produced following this
suggestion
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2010-2011/3814.html
might be helpful too if anyone would want to help with this.
Many thanks!
Yongcheng
-------------------------------------------------------------------------
cellBasisVector1 19.894999235868454 0 0
cellBasisVector2 0 21.364999771118164 0
cellBasisVector3 0 0 26.67400074005127
cellOrigin 11.019709587097168 6.169844150543213 3.2374091148376465
Particle count: 83
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