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Dear Modeller users, I have a question related to the calculation of energy during optimization. What are the units (Joules/calories/ Kilo joules etc?) of the energy calculated? (The "current energy" value in the log-file, for example, is a number. I'd like to know the units that correspond to it) Thanks in advance! Abdullah Hotmail: Trusted email with Microsoft’s powerful SPAM protection. Sign up now. |