[gmx-users] Force constant in g_wham

rainy908 rainy908 at yahoo.com
Thu Jun 14 23:41:03 CEST 2012

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 K_i, and sometimes not.

Thank you,

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