Re: [gmx-users] Force constant in g_wham

Hi, the umbrella potential is 0.5*k*(z-z0)^2 Jochen Am 6/14/12 11:41 PM, schrieb rainy908: Dear gmx-users, I am writing to clarify that the force constant kappa for g_wham corresponds to K_i itself, and not the quantity (1/2)*K_i in the umbrella potential W_i(ξ) = (K_i/2)*(ξ-ξ_i)^2. I

[gmx-users] Force constant in g_wham

Dear gmx-users, I am writing to clarify that the force constant kappa for g_wham corresponds to K_i itself, and not the quantity (1/2)*K_i in the umbrella potential W_i(ξ) = (K_i/2)*(ξ-ξ_i)^2. I recall reading somewhere that the force constant sometimes includes the (1/2) term in front of