> Quick question, what is the best way to add two molecules so they can
> interact?
> 1- Make a pdb with both molecules and then do all the fiddling of external
> parameters in tleap
> 2- Join somehow directly on tleap once each molecule has its external
> parameters loaded
'1' allows you to set the relative orientation of the molecules in
your favorite molecular editor. '2' implies that you will use xleap
to position the molecules. I think most people do '1'.
Bill
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Received on Wed Sep 02 2009 - 23:05:28 PDT
