[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090310/a26a6568/attachment.html>
More information about the gromacs.org_gmx-users
mailing list