Hi Amber community,
I want to move a molecule between two boxes for my simulations. In order to
do this, how can I estimate the available space (where the molecule can
fit) in a box before moving the molecule without overlapping with other
molecules and how many places I can insert the molecule in a single
configuration of box. I have molecules in 3D space and I can rotate,
translate the molecules within box to get new configurations.
I would be thankful for any hit or article that might help me to write this
code.
thanks
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Received on Thu Nov 06 2014 - 11:30:03 PST
