Re: [AMBER] Amber16: COM's in GPU version

From: Jason Swails <>
Date: Thu, 26 May 2016 14:07:16 -0400

On Thu, May 26, 2016 at 1:12 PM, Ross Walker <> wrote:

> Hi Ilyas,
> I haven't had a chance to look properly unfortunately. If the CPU code in
> PMEMD properly supports angle and dihedral restraints for center of mass
> (I'm pretty sure it does but have never actually tried it)

​Actually it does not. This would need to be implemented in pmemd CPU

All the best,

Jason M. Swails
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Received on Thu May 26 2016 - 11:30:02 PDT
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