From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Sat Aug 24 2024 - 10:53:04 CDT

..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 🚀
>
>
>