[AMBER] Steered MD in AMBER using GPU

From: Souvik Dey <sdey8.uic.edu>
Date: Tue, 23 Jun 2020 21:30:02 -0500

Dear Amber users,

I found a post in the mailing list few days ago stating that I can use
plumed which is integrated in Amber 20 to run steered MD simulations using
pmemd (GPU). I have two questions in this regard.

1. How do I use plumed to run steered MD in Amber? Are there any tutorials
that can guide me?

2. I use Amber18. What is the procedure to patch plumed with Amber18? Is it
easier than just upgrading Amber 18 to Amber 20?

Thanks and regards,
AMBER mailing list
Received on Tue Jun 23 2020 - 20:00:03 PDT
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