[gmx-users] PMF of a single water molecule respect to a surface

Dear Gromacs user, I am calculation the PMF of a single water molecule to pull it away from top of metallic surface along vacuum in the Z direction ,following the Justin umbrella tutorial. I am only interested in the behavior of PMF in 0.002 nm to 0.8 nm intervalon top of the surface, but I do

Re: [gmx-users] PMF of a single water molecule respect to a surface

On 2/12/16 8:47 AM, Alexander Alexander wrote: Dear Gromacs user, I am calculation the PMF of a single water molecule to pull it away from top of metallic surface along vacuum in the Z direction ,following the Justin umbrella tutorial. I am only interested in the behavior of PMF in 0.002 nm