[Zinc-fans] does ZINC8 use AMSOL

[John J. Irwin]

Hi Andrew

All versions of ZINC from 6 on use AMSOL for partial atomic charges. 
ZINC5 used MMFF94, but that was an oversight.

Good luck!

John
UCSF ZINC Team


Andrew Stelzer wrote:
> Hello all,
>
> Does the new version ZINC8 use AMSOL to calculate partial atomic  
> charges or is MMFF94 still used?
>
> Take Care,
> Andrew
>
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