Hi,
I have done some steered MD simulation and I want to construct the potential
of mean force from these pull-profile using Jarzinsky's inequality. I wanted to
see whether, in updated version of gromacs, there is any implementation of
extracting PMF from SMD simulations.
If not, can anyone suggest some guidelines how to do it.
Sanku
--
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
