Dear AMBER user,
I am trying to set up a calculation on the evaporation free energy estimation. As I went through manual, I saw that AMBER implements the traditional soft-core potential for elec and vdw. But I did not find the section which describes the instruction to decouple elec and vdw separately. Can anyone guide me on this?
Thanks in advance.
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Received on Wed Oct 04 2023 - 05:00:02 PDT
