Hello !
I have a question regarding molecular constraints.
What is the easiest way of constraining a molecule
in a box of water solvent ?
I would like to constrain all bonds, bends, and torsions,
keeping the geometry fixed but let the molecule float
around in the box.
Thank you so much for your help,
Sintar.
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Received on Fri Nov 11 2016 - 07:00:02 PST
