[AMBER] using PLUMED with pmemd.cuda?

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From: Amanda Buyan <Amanda.Buyan.anu.edu.au>
Date: Fri, 5 Jun 2020 02:48:31 +0000

Hi everyone,

Thanks a lot for your continued support and help! It's giving me more things to test and move ahead with my work :)

I have another question. Our group is looking into running Steered MD using PLUMED in Amber. We've been looking into how to use it, and we know it works in Sander. However, we want to use it with GPU acceleration, but can't seem to find any tutorials on how to integrate PLUMED with pmemd.cuda. Does anyone know of any we could work through/could point us in the right direction?

Best wishes

Amanda

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Received on Thu Jun 04 2020 - 20:00:02 PDT