[AMBER] How to install Amber20 with pmemd.amoeba?

From: Kliuchnikov, Evgenii <Evgenii_Kliuchnikov.student.uml.edu>
Date: Sat, 25 Jul 2020 19:29:56 +0000

Dear Amber users,

I am trying to perform MD simulations in Amber20 with AMOEBA force field. I believe that for that purpose I am supposed to use pmemd.amoeba, but I can not find it installed. I used gem.pmemd instead which is also allows me to perform AMOEBA calculations, but it is too slow. I did not find any clear description of how to install pmemd.amoeba.

My first question is, is there any additional flag that should be written in the run_cmake file, or what the way to install pmemd.amoeba?

My second question is, does pmemd.amoeba support GPU calculations? And if it is not, how can I perform AMOEBA calculations in AMBER on GPUs?

Thank you in advance,
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Received on Sat Jul 25 2020 - 13:00:04 PDT
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