Hi All
I am trying to calculate hydration energies for some organic molecules.
https://pubs.acs.org/doi/pdf/10.1021/j100026a034
I need Amber gaff parameters for benzene, acetamide, methylamine, pyridine, ethane, methyl acetate, and dimethyl ether. I only found methanol parameters as of now.
Any idea where I can find them in which lib files?
Thanks all
Debarati
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Received on Fri Feb 04 2022 - 09:00:02 PST
