The position of the reference group and the displacement of the pulled
group from the reference group should be printed (although perhaps
without the reference position if you are using absolute coordinate
pulling, which is not recommended anyhow).
If you want some better advice, please be more specific and include
cut and paste sections saying "I expected X at Y, but it was not in
the file Z.xvg". you should also include your pull-code .mdp options
and your grompp and mdrun commands.
Chris.
-- original message --
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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
