Dear Anne,
> How can I create a pseudo-atom? Moreover, is there a pseudo-atom library?
by pseudo-atom do you mean extra-point(s) for heteroatoms as defined
by Dixon & Kollman J. Comput. Chem. 1997... ?
if yes, our new R.E.D. version does handle many types of extra-points.
if yes, the more easy for you would be to send us your molecule(s) and
we will generate FF libs for you with these extra-points... (we are
not ready yet to release this new R.E.D. version).
regards, Francois
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Received on Mon Feb 25 2013 - 13:00:03 PST
