RE: [gmx-users] umbrella potential

@gromacs.org Subject: Re: [gmx-users] umbrella potential Stefan Hoorman wrote: I have performed a series of umbrella sampling simulations in order to do a WHAM analysis. The profile.xvg file I obtain is a continuous descending line along my distance axis. There is no increase in energy

Re: [gmx-users] umbrella potential

Stefan Hoorman wrote: I have performed a series of umbrella sampling simulations in order to do a WHAM analysis. The profile.xvg file I obtain is a continuous descending line along my distance axis. There is no increase in energy after my two structures separate. Perhaps I am doing something