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: [email protected] Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658
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