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 <[email protected]> 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 > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- 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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