MOPAC review articles



    We are trying to do some molecular simulations on a series of molecules
 which consist of two acridine ring structures linked by alkane chains of
 varying length. Since we are trying to measure the distance between the rings
 in our model, and use the answers to explain experimental results, we want
 fairly accurate measurements, (to within about 2 angstroms, at least).
    One of the questions we would like to awnser is whether or not molecular
 mechanics (ie, SYBYL) will do an adequate job on this series, or will we have
 to use semi-empirical methods. We are going to run MOPAC on one of these
 molecules, but since I am not familiar with these methods, I am not sure
 what to do with the results or how to interpret them. Can anyone suggest
 some good review articles which explain in a general fashion what the output
 from MOPAC means?
 Thanks in advance,
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 Todd Tenenholz, Coordinator | Internet: todd-: at :-sg.ab.umd.edu | Dept. Biol.
 Chem.
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