Hi,
I am trying to reproduce some steps from a paper, the authors set position
restraint to the protein (all-bonds) with a force constant of 1000 for 2ns.
I edited the pr.md file where nsteps would result in 2 ns, and I searched the
mailing list and knew that the force cons is 1000 by default if we define
-DPOSRES
My question is the run ended very quickly that doesn't seem 2ns for me. I
apologize if it is a silly question but I have just strated using GMX
Thanks
Rabab Toubar
--
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/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/mailing_lists/users.php
