Re: [AMBER] Center of mass restraints work on pmemd.MPI, but not on the GPU

From: Needham, Perri <pneedham.ucsd.edu>
Date: Fri, 27 Feb 2015 21:19:23 +0000


On Feb 27, 2015, at 12:06 PM, Jason Swails <jason.swails.gmail.com> wrote:

> On Fri, Feb 27, 2015 at 2:44 PM, Needham, Perri <pneedham.ucsd.edu> wrote:
>
>> Hi Manuel,
>>
>> The bug has been fixed and a patch is awaiting approval for release. The
>> bug occurs only when a COM group involves atom 1.
>>
>> Update.11 will fix this. Jason can you provide a timeframe for it’s
>> release?
>>
>
> ​Wasn't there something else that was going to get added to that update?
> I've lost track of its status.

No, that bug has still not been resolved so I think it should be released as a separate patch so that we can get update.11 out ASAP.

Thanks,
Perri

> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Fri Feb 27 2015 - 13:30:05 PST
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