[gmx-users] mdrun - topol.tpr

[Dommert Florian]

On Wed, 2012-03-07 at 12:33 +0000, Lara Bunte wrote: 
> Hi
> 
> After I used
> 
> 
> grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr
> 
> to collect my files into one em.tpr file (which is the meaning of gromp as fas as I understand it)
> 
> Then I start mdrun for energy minimization with the command
> 
> mdrun -nt 1 deffnm em
> 
You forgot a "-" in front of deffnm

/Flo 
> 
> and got the error
> 
> Can not open file:
> topol.tpr
> 
> 
> What ist the problem?
> 
> Thank you
> Greetings
> Lara

-- 
Florian Dommert
Dipl. - Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

EMail: dommert at icp.uni-stuttgart.de
Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

Tel.: +49 - (0)711 - 68563613
Fax.: +49 - (0)711 - 68563658
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