[AMBER] pmemd.cuda for heating and equilibration?

From: Nada Afiva <nadaafiva.gmail.com>
Date: Thu, 25 Jun 2020 08:27:34 +0700

Daer Amber,
I heard that pmemd.cuda only use for production step.
My question is why pmemd.cuda can not be used for minimization,
heating, and equilibration steps in MD?
Thank you in advance.

Best,
Nadaafiva
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Received on Wed Jun 24 2020 - 18:30:03 PDT