[gmx-users] Re: Step 6 of lysozyme tutorial

Justin A. Lemkul jalemkul at vt.edu
Sat Jan 30 12:53:25 CET 2010



bharat gupta wrote:
> Hi
> 
> I am getting the follwing error while running the mdrun command given
> in the step six of the lysozyme tutorial :-
> 
> 
> Program mdrun, VERSION 4.0.7
> Source code file: gmxfio.c, line: 737
> 
> Can not open file:
> topol.tpr
> -------------------------------------------------------
> 
> "This Doesn't Suck, It's a Black Hole !" (K.A. Feenstra)
> 
> 
> 
> Can anybody tell me where i will find this topol.tpr file ???

You don't find it anywhere - you were surely supposed to create it with grompp 
in the prior step.  If some previous step failed then this input wouldn't have 
been generated.  Read all messages printed to the screen carefully.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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