VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Fri Aug 30 2024 - 03:35:02 CDT

..my Google Drive link is exhibiting the same amendment needed as the
Dropbox, thanks:)

On Thu, Aug 29, 2024 at 4:55 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
wrote:

> ...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!_aSP2SvA4m248EGHuZtf1UVPH7LzvBTTG6QsUmUbxXz5UFSzCcXzjXZ4fJb0kGDMypPzR6Or88tGpk_pdvSZutABfQ$
>>
>>
>>
>> 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!_aSP2SvA4m248EGHuZtf1UVPH7LzvBTTG6QsUmUbxXz5UFSzCcXzjXZ4fJb0kGDMypPzR6Or88tGpk_pdvQzU-tClg$
>>>
>>> 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 🚀
>>>>>
>>>>>
>>>>>