A home PC to run NAMD simulations

From: Harish Srinivasan (harishlglk1992_at_gmail.com)
Date: Sun Oct 11 2020 - 02:02:27 CDT

I am planning to set up a home PC to run NAMD simulations of bilyaer,
bilayer-protein and ionic liquid systems. I have decided to go with the AMD
Ryzen processor (for budget reasons, although I know intel would be better
suited). I would like to know the kind of GPU I should go for,
particularly, what role does the GPU memory play and how much of a
difference does it make to choose 2080 over 1660/1650 NVIDIA cards.

 I was suggested that NVIDIA Quadro GPUs are the best suited for CUDA based
calculations, any inputs about the compatibility of these cards with Ryzen
processors would also be helpful.

PS: I am looking for a low budget setup since I will be using it at home!

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