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AMBER Archive (2006)Subject: AMBER: how to take care of toluene system neutrality
From: Lwin, ThuZar (ThuZar.Lwin_at_stjude.org)
Hello everyone and Dr. Case,
I have been following Dr. Case's tutorial on thermodynamic
ERROR: The unperturbed charge of the unit: 0.084700 is not integral.
When I tried to add up the charges on xleap edited phe-> toluene, in
Thank you very much,
tz
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