Re: [AMBER] AMBER: targeted MD

From: Charles Lin <>
Date: Thu, 21 Jun 2018 16:45:33 +0000

Targeted MD has not yet been ported to pmemd (so its also not in the GPU code). You'll have to use sander for that functionality.

From: 李耀 <>
Sent: Wednesday, June 20, 2018 1:03:47 AM
Subject: [AMBER] AMBER: targeted MD

Hello Amber:

I am using Amber16 and AmberTool17 to run targeted MD. The pmemd version is pmemd 14 which doesn't support GPU so I have to use sander. Does pmemd or sander in Amber18 support GPU? Do I need to buy Amber18 if I want to run tMD on GPU?

Thank you.

Yao LI
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Received on Thu Jun 21 2018 - 10:00:02 PDT
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