[gmx-users] simulation shut down: reason unknown

Kai Zhuang kai.zhuang at gmail.com
Mon Jun 13 02:36:37 CEST 2005

for some reason, my simulation won't finish.
i'm running two simulation in parallel.  the two proteins only have
one amino acid
difference.  i'm using the exact same mdp files for the two of them.  
for some reason, one of the simulation keep dying on me. 
the system generally crash after writing a certain step file.
i checked these step files, they look fairly normal to me, the protein
has not disintegrated or unfolded at all.

any thoughts?

Kai Zhuang
BioMedical Engineering @ University of Toronto
kai dot zhuang at gmail dot com
kai.zhuang at gmail.com

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