[gmx-users] Force constant for umbrella sampling potential

dtmirij dtmirij at sandia.gov
Mon Dec 17 04:54:55 CET 2007

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.

More information about the gromacs.org_gmx-users mailing list