[gmx-users] mdp files

jolander at rci.rutgers.edu jolander at rci.rutgers.edu
Fri Jun 20 22:07:05 CEST 2008

Special thanks to Vitaly, Mark and Justin for there comments. I've
revisited the wiki site and read through chapter 5 of the manual. I'm
currently going through the tutorial with a standard protein. I run into a
problem when I use the command:

grompp -f em.mdp -c fws_b4em.pdb -p fws.top -o fws_em.tpr

The error states that the em.mdp file doesn't exists, but none of the
steps in the tutorial leading up to this command creates the em.mdp file.
I was just wondering what step in the process is the .mdp file created or
do I have to have that already created off to the side ready for the
grompp command?

Thanks again,

-John Landers

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