[gmx-users] pulling distortion

[Soren Enemark]

Hi,
  I would like to measure a force-strain behaviour for a molecule along a certain axis. I fixed one end of the molecule. I am pulling the other end using a pull
  group containing C-alphas.
  My problem is that different parts of the molecule do
  not have the same flexibility - in particular, one loop is deformed very much
  while the rest of the pull group hardly moves.
   
  Can anybody please help with any idea for how to solve this problem!!
  Any alternative ideas for measure the behaviour are also highly appreciated!!
   
  All the best,
  Soren
   
   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060406/93c52eaf/attachment.html>