[gmx-users] Force constant for umbrella sampling potential

[Farzad Molani]

Hi dear
I think it has got 0.5 in equation.
U=0.5*K(r-b)2
but I dont knoe how do I get K please help me

dtmirij <dtmirij at sandia.gov> wrote: Hello everyone,

I would like to know does the harmonic biasing potential for running
umbrella sampling in gromacs have a 0.5 in front or is the 0.5 term
incorporated into the force constant value that we specify?
On other words is the potential V=0.5*k(x-xo)^2 or V=k(x-xo)^2.

Thank you in advance.
-Dina


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