[gmx-users] Segmentation fault

Justin A. Lemkul jalemkul at vt.edu
Sat Dec 22 14:52:04 CET 2007


> ; Berendsen temperature coupling is on in two groups
> Tcoupl              =  berendsen
> tc-grps            =  Protein SOL NA+
> tau_t               =  0.1     0.1 0.1
> ref_t               =  300     300 300

Althought I doubt it is the root cause of your problems, coupling solvent and
ions separately is a bad idea.

http://wiki.gromacs.org/index.php/Thermostats

-Justin

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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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