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Hi, if I'm trying to generate partial charges for a series of unknown
molecules (i.e., I won't know whether they aromatic or not) do I need
to call the PEOE class followed by the PEPE class? Or can I just use
the PEPE class (since it appears to calculate the sigma charges
within it)?
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Rajarshi Guha <[EMAIL PROTECTED]>
GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84
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Regular naps prevent old age....
especially if you take them while driving
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