[gmx-users] Potential Energy-Umbrella sampling

[gozde ergin]

Hi all,

My system has 560 water molecules covered by  50 organic molecules. I run
the simulation for 20 ns and here is my potential energy figure.

http://imgur.com/DrBvnjs

I just could not understand what is going on after 7.5 ns?

Also I am doing this simulation to calculate the PMF. On the links there
are two PMF curves for the same system for 4ns and 20ns. They a