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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| tr. Svobody 26, 771 46 Olomouc, Czech Republic |
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|ph. +420 58 563 4756 fax +420 58 563 4420|
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http://fch.upol.cz |
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Received on Thu Oct 02 2003 - 16:53:00 PDT
