On 12/21/11 10:07, Marc van der Kamp wrote:
> On 20 December 2011 19:23, Mark Williamson <mjw.mjw.name> wrote:
>
>> 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
>> Hi again,
> Yes, the CA RMSD rises really, really quickly - as before. It goes from 1
> to 8 Ang in 50 ps.
> I expected as much (as the energies behaved pretty much the same as
> before), but I couldn't test a longer run until now.
> Thanks,
> Marc
Hi Marc,
OK, thanks for the feedback and clarification about this; it is going to
need more investigation.
For the moment, the ineffective "fix" for your issue will be pulled from
bugfix.20, but the other two fixes will remain since they do solve their
respective issues. I anticipate a bugfix.21 for your issue once a
workable fix is complete.
Regards,
Mark
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Received on Wed Dec 21 2011 - 05:00:03 PST
