[RMCProfile-users] **Possible spam**Hydrogen element and minimum distance
Chris Kerr
cjk34 at cam.ac.uk
Tue Jun 10 09:29:49 BST 2014
Try not including the hydrogen atoms in your configuration, and set up larger
MINIMUM_DISTANCES to take into account that e.g. two carbons have to stay far
enough apart to leave space for a couple of hydrogen atoms in the distance between
them.
If this isn't good enough you could try something with bond/angle potentials; I don't
know that much about that side of RMCprofile but hopefully someone else on the list will
be able to advise.
Dear author,
H.Wu
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