From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Thu Aug 29 2024 - 09:55:15 CDT

..and to successfully use the Dropbox link please:

manually edit down the URL to the text between the double-underscore
characters -- that is, copy the URL, paste into text editor or browser URL
entry field, and remove everything before and after the "__"
double-underscore characters, including the double-underscores.

Hopefully the Dropbox access this way or the former Google Drive Share will
function, thanks:), Joel 🚀

On Thu, Aug 29, 2024 at 10:14 AM Joel Subach <mjsubach_at_alumni.ncsu.edu>
wrote:

> Please try instead this link since the former generated a URL
> Inaccessible URL Defense I believe,
> I also Google Drive Shared via VMD Mailing List <vmd-l_at_ks.uiuc.edu>,
> thanks:):
>
>
> https://urldefense.com/v3/__https://drive.google.com/drive/folders/1ncrrl4VQ91JPGBOG56V3Hw9uV_N0jJUq?usp=drive_link__;!!DZ3fjg!8iRTWr_Q7P9pl2DAoJgpiG4ItNW0X1dtqF3sosNhdoEtMEAhP17sI1vw7PTAOq0-jNJvRzx1yBVBVVNkr2xAxehrDw$
>
>
>
> On Mon, Aug 26, 2024 at 5:03 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
> wrote:
>
>> amendment below link to all large files within Dropbox, please let me
>> know if inaccessible, thanks:)
>>
>>
>> https://urldefense.com/v3/__https://www.dropbox.com/scl/fo/a6k0ca2vh5xjvbwl6b975/ACT62oKb8-OALAAZBPxZd1c?rlkey=7jklkzb47j9iw913op8swljb3&st=nls2p66h&dl=0__;!!DZ3fjg!8iRTWr_Q7P9pl2DAoJgpiG4ItNW0X1dtqF3sosNhdoEtMEAhP17sI1vw7PTAOq0-jNJvRzx1yBVBVVNkr2znrIO87A$
>>
>> On Sat, Aug 24, 2024 at 5:54 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
>> wrote:
>>
>>> ...and below is the ChargeOpt.0.log file output:
>>>
>>> Current test charges: C5 -0.480
>>> Iteration: 0
>>> C5 QME: -0.278 MME: -4.418 (-4.140) QMD: 3.387 MMDistDelta: -0.100
>>> C5 QME: -0.997 MME: -0.837 (0.159) QMD: 3.116 MMDistDelta: 0.400
>>> Dipole -- QM: {1.873 -0.897 -0.148} (5.293 D) MM: {5.672 -2.927 0.013}
>>> (6.383 D) Ratio: 1.21
>>> Current objective value: 446.097516 ( En: 429.097516 Dist: 17.000000
>>> Dipole: 0.000000 )
>>>
>>>
>>>
>>> ffTK has halted on error. The optimizer has returned an empty result,
>>> indicating an abnormal termination.
>>>
>>> On Sat, Aug 24, 2024 at 1:42 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
>>> wrote:
>>>
>>>> Hello VMD Community:),
>>>>
>>>>
>>>> I am receiving the attached below error within ffTK, Opt Charge, Run
>>>> Optimization:
>>>> Also attached are my QM Target Data Files, please let me know if you
>>>> know a resolution to this error? Thanks if you know:), Joel 🚀
>>>>
>>>>
>>>>