On Thu, Jul 23, 2020, Debarati DasGupta wrote:
>How to invoke these parameters in TI free energy calculations in AMBER20?
>The authors say its implemented in AMBER20...
Sounds like what you want is described in Section 23.1.7.1; see also all of
section 23.1.7 for recent changes in TI calculations.
....dac
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Received on Thu Jul 23 2020 - 18:00:04 PDT
