[gmx-users] mdrun - topol.tpr

[Siew Wen Leong]

mdrun looks for topol.tpr by default. specify "-s em.tpr" in your command

On Wed, Mar 7, 2012 at 8:33 PM, Lara Bunte <lara.bunte at yahoo.de> 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
>
>
> and got the error
>
> Can not open file:
> topol.tpr
>
>
> What ist the problem?
>
> Thank you
> Greetings
> Lara
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-- 
Regards,
Leong Siew Wen

“Making the simple complicated is commonplace; making the complicated
simple, awesomely simple, that’s creativity.”
 *- Charles Mingus-*
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