[gmx-users] Simulation Crashing

[David]

On Thu, 2003-08-14 at 22:11, Alexandre Suman de Araujo wrote:
> 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

either:
- bad starting structure (most likely)
- incorrect parameters for center of mass motion removal (not so likely)
- temparature coupling parameters.

> 
> []'s
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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