[gmx-users] Question about COM-Pulling

Christian Mücksch muecksch at rhrk.uni-kl.de
Mon Dec 13 15:41:40 CET 2010


Dear users,

I've got a short question regarding com-pulling. From what I understand 
Umbrella pulling is the same as AFM pulling using a harmonic potential.

Why is the position of the spring in the pullx.xvg not printed? One can 
only find the vector between both pull groups. I looked into older 
Gromacs manuals and in versions < 4 it seems as if this data is printed 
to the pullx.xvg file or something similar.

With kind regards,
Christian

-- 
Christian Mücksch
Department of Physics
TU Kaiserslautern
Erwin Schrödinger Straße
67663 Kaiserslautern
Germany

Phone: +49 (0)631 205 4287
Fax:   +49 (0)631 205 4965
Email: muecksch at rhrk.uni-kl.de




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