[AMBER] AMBER: targeted MD

From: 李耀 <liyao17.mails.tsinghua.edu.cn>
Date: Wed, 20 Jun 2018 13:03:47 +0800 (GMT+08:00)

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.


Best,
Yao LI
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Received on Tue Jun 19 2018 - 22:30:03 PDT