[gmx-users] WHAM 3D

[Quyen V. Vu]

Dear GMX community,
I would like to perform the umbrella sampling simulation in 3-dimensional
reaction coordinates.
So in my system, I divided the region into a grid cell and then place the
test particle in each grid. Using the bias potential
V=1/2Kx(x-x0)^2+ 1/2Ky(y-y0)^2+1/2Kz(z-z0)^2 to restraint the test particle
in that grid.
How could I obtain the 3-D PMF for this simulation?
Thank you and best regards,