Re: [AMBER] Memory usage of NMR COM restraints 4 times larger in amber 16?

From: Paul Westphaelinger <paul_westphaelinger.ewetel.net>
Date: Fri, 24 Mar 2017 09:53:43 +0100

In case I can help with fixing this bug please contact me directly,

as I will unsubscribe from this mailng list, for now.

Best regards,

Paul Westphälinger


Am 23.03.2017 um 11:38 schrieb Paul Westphälinger:
> For everyones convenience I have now uploaded the testcase so you can just
>
> download it if you want to take a look.
>
> https://syncandshare.lrz.de/filestable/MkR2Qld2TDlWZXo4N3N5WXdndG1y
>
>
> Am 22.03.2017 um 17:17 schrieb Paul Westphälinger:
>> I send two mails one with and one without, the one with appendix is
>> still awaiting moderator approval i think. So maybe you could look into
>> that.
>>
>>
>> Am 22.03.2017 um 16:24 schrieb David Case:
>>> On Wed, Mar 22, 2017, Paul Westphälinger wrote:
>>>> I would appreciate an if this bug was recorded in some fashion, if I can
>>>> help fix it I would be happy to help in any capacity.
>>> We know about the problem, although I'm not sure that anyone on the
>>> development team has a complete set of files to try to reproduce this. I know
>>> that I was confused earlier, thinking that you were using the newer "nfe"
>>> code.
>>>
>>>>> I will append the two test cases.(removed the appendix..)
>>> Not sure why you left out the test cases; the easier it is for someone
>>> to run an example that illustrates the problem, the more likely it is that
>>> you might get some reply.
>>>
>>> ....dac
>>>
>>>
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Received on Fri Mar 24 2017 - 02:00:04 PDT
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