[gmx-users] Jarzinsky's inequality from SMD simulation
msanku65 at yahoo.com
Mon Oct 31 16:05:43 CET 2011
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.
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