[gmx-users] Segmentation fault after dt=2fs

[Justin Lemkul]

> ; Berendsen temperature coupling is on in three groups
> Tcoupl              =  berendsen
> tau_t               =  0.1       0.1     0.1
> tc-grps		    =  protein   SOL     CL-
> ref_t               =  300       300     300

This could also be problematic.  Solvent and ions should not be coupled
separately.  See http://wiki.gromacs.org/index.php/Thermostats for an
explanation, or the many posts in the archives regarding this issue.

-Justin


==================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu
(540) 231-9080

==================