Re: [AMBER-Developers] [AMBER] Using restraints to get a complex

From: Needham, Perri <>
Date: Sun, 15 Feb 2015 19:25:21 +0000

I looked through the code and tested the full cuda test suite with SPFP and DPFP and am happy that it doesn’t break anything. The only modification needed is to re-run the cuda/sgld tests with the same test conditions as the rest of the cuda tests for the saved output. I will do this.


On Feb 12, 2015, at 5:17 PM, David A Case <> wrote:

> On Thu, Feb 12, 2015, Xiongwu Wu wrote:
>> I have done SGLD implementation on pmemd.cuda. I pushed the
>> implementation onto the sgld branch. Would you please check to see if
>> it is ok to push it onto the master branch?
> I, for one, will be testing this out, via the sgld branch. Let's certainly
> see if I find any problems before pushing to master. Of course, you (Ross,
> Perri, Scott, etc.) can/should look at the code and give it a whirl as well.
> Thanks to Xiongwu for doing this!
> ....dac
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Received on Sun Feb 15 2015 - 11:30:03 PST
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