[gmx-users] some questions about umbrella sampling

I am doing umbrella sampling to calculate energy profile of an drug passing through a ion channel by GROMACS3.3. why not gmx 4? In order to get right result, I need to choose a reasonable force constant in my simulation, right? I know that, a reasonable force constant should produce enough

[gmx-users] some questions about umbrella sampling

Dear All: I am doing umbrella sampling to calculate energy profile of an drug passing through a ion channel by GROMACS3.3. In order to get right result, I need to choose a reasonable force constant in my simulation, right? I know that, a reasonable force constant should produce enough "ov