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,
Evgenii
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Received on Sat Jul 25 2020 - 13:00:04 PDT
