[gmx-users] angular pull code

Soren Enemark blegbirk at yahoo.dk
Thu Oct 19 18:07:19 CEST 2006

 Dear Gromacs users,
  I would like to compute force of interaction between 2 molecules as a function of relative position and, in particular, orientation.
  I was wondering if I could modify the pull code to include an angular harmonic
  potential. Would that be possible, and if so, does anyone have a suggestion as
  to where and how the modifications should be done?
  Secondly, but still connected to the above, does anyone have an idea to how
  such an angle should be defined?
  All inputs are very welcome and highly appreciated.
  Best regards to all,
  Soren Enemark
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