Hi,
Targeted MD is currently not supported in PMEMD or CUDA. Unfortunately its only available in sander.
-Charlie
________________________________________
From: Naomi Rose Latorraca [nlatorra.stanford.edu]
Sent: Friday, October 23, 2015 3:13 PM
To: amber.ambermd.org
Subject: [AMBER] compatibility of targeted MD with GPU amber vs. sander
Hi all,
I'm writing to clarify whether the targeted MD application in Amber can be used with GPU Amber or if I need to use Sander to perform such simulations. Targeted MD is not listed on the "Not supported features" list found here for Amber14: http://ambermd.org/gpus/ so I was just hoping someone could point me in the right direction.
Thanks so much,
Naomi
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Received on Fri Oct 23 2015 - 15:30:04 PDT
