[gmx-users] Simulation Crashing

Alexandre Suman de Araujo asaraujo at if.sc.usp.br
Thu Aug 14 21:59:01 CEST 2003


Hi GMXers!!!

I'm performing a simulation and after some steps the mdrun cry 
"segmentation fault". In the log file, the lat line has:

Large VCM(group rest):     -0.01344,      0.03897,     -0.02286, 
ekin-cm:     27.09819 (or something like this,with other values, depends 
of my emtol value in the minimization before the MD)

What this mean???? This can be result of some bad values of parameters 
in my .mdp file???
Thanks for everybody

[]'s

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil





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