[gmx-users] radial pmf
sir_donald_bradman at yahoo.com
Tue Jan 23 18:26:09 CET 2007
i'd like to calculate the pmf as a function of the
radial distance between 2 groups by umbrella sampling.
it looks like this is not currently possible.
if anyone has a hacked version of gromacs to do it,
i'd love a copy. but assuming that i have to hack the
pull code myself, is there a simple way to call the
harmonic bond routine to calculate the force?
Don't pick lemons.
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