Hello After equilibrating the water around my molecule I want to run the MD simulation. In my tutorial this is primed with:
grompp -f run.mdp -p topol.top -c pr.gro -o run.tpr I don't have this pr.gro file but I have a pr.tpr file. Could I use this one? It seems GROMACS accepts this but I don't know whether this is good. I have this pr.tpr file because I used in the equilibrating the water procedure the command grompp -f pr.mdp -p topol.top -c em.gro -o pr.tpr Thanks for help Greetings Lara -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
