[gmx-users] mdrun - topol.tpr

Lara Bunte lara.bunte at yahoo.de
Wed Mar 7 13:33:02 CET 2012


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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