[gmx-users] mdp files

Justin A. Lemkul jalemkul at vt.edu
Fri Jun 20 22:09:39 CEST 2008

You have to make it with a text editor.


jolander at rci.rutgers.edu wrote:
> 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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list