Hello,
Congratulations on the new release. We are interested in trying out the method described in the paper Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics (
https://pubs.acs.org/doi/full/10.1021/acs.jctc.4c01792). The paper states it is slated to be included in the next release of AmberTools but I can’t find a mention of it in the latest manual. Was this code included and if so can someone point me to instructions on how to invoke it?
Thanks,
Trevor Kramer
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Received on Thu May 01 2025 - 05:00:02 PDT
