[gmx-users] restart run problem

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 29 13:25:13 CEST 2008

Quoting sudheer babu <sudheer.pbm07 at gmail.com>:

> HI all,
> My simulation crashed mid of the run , I genrated restart.tpr by using
> tpbconv command for restart my simulation, Then I when I give mdrun -v
> -deffnm restart.tpr
> It showed below mentioned two lines  and stopped.
> "Wrote pdb files with previous and current coordinates
> step 0, will finish at Sat May  3 02:07:06 2008Segmentation fault"
> Could you tell me the reason
> Thanks for your appreciation

Did your simulation crash with a segmentation fault/LINCS warnings, etc?  If so,
tpbconv won't magically rescue your simulation, there's something physically
unreasonable about it and you need to reconsider your
minimization/equilibration scheme.



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


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