(unknown charset) AMBER: calculation of LJ 12-6 from .dat file (fwd)

From: (unknown charset) Michal Otyepka <otyepka.aix.upol.cz>
Date: Thu, 2 Oct 2003 15:53:27 +0100 (NFT)

Dear AMBERs,

could you answer me, please, my simple question?

How can I calculate epsilon (well depth) of L-J 12-6 potential e.g.
for CT-O2 pair from FF param. file?

Thank you in advance,

Michal Otyepka


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Received on Thu Oct 02 2003 - 16:53:00 PDT
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