[gmx-users] About pull force in COM pulling

Lee Soin nomadoro at gmail.com
Tue Mar 10 07:48:39 CET 2009


Hello!
I'm using COM pulling in GROMACS. Something I'm not clear about:
(1) Is the pull force in the output file pullf.xvg just the spring force in
umbrella pulling and the constraint force in constraint pulling?
(2) In .mdp file, "pull_geometry" is specified as "distance". Then, what
is the positive direction for the pull force?
Thanks!

-- 
SUN Li
Department of Physics
Nanjing University, China
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