[gmx-users] AFM pulling options

Marc Baaden baaden at smplinux.de
Thu Aug 1 11:17:54 CEST 2002


I had a look in the pull code a while ago, too.
In fact your problem seems simple: the pull code
assumes you are pulling in z direction and eg writes
only forces in z, whereas from the parameters you
indicated, you were pulling in x direction.

So if you can re-model your system such that you
pull along z, it should be ok.

I also sent a little modification/addition to the
pull code to Justin. Justin, did you have a chance to
incorporate it in your changes ?


 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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