On 12/20/11 16:20, Marc van der Kamp wrote:
> On 20 December 2011 12:18, Mark Williamson <mjw.mjw.name> wrote:
>
>> On 12/20/11 10:22, Mark Williamson wrote:
>>> On 12/20/11 10:03, Marc van der Kamp wrote:
>>>> Hi Ross,
>>>>
>> Thanks, Mark.
> FYI, I was curious and did end up doing a complete fresh installation of
> AT1.5 and Amber11 (applying all the bugfixes available today). But, as
> expected, the results from pmemd.cuda_SPDP are identical to those I posted
> earlier.
> Let me know if you'd like the files necessary for my test-case.
>
Hi Marc,
One further question, ignoring the virial values for the moment, with
bugfix.20 applied, does your system "denature" as stated in your
original email?
Regards,
Mark
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Received on Tue Dec 20 2011 - 11:30:02 PST
