From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Fri Mar 18 2016 - 15:12:56 CDT
I have run my structure through CGenFF and got the parameters and charges.
According to this file
Penalties lower than 10 indicate the analogy is fair; penalties between 10
and 50 mean some basic validation is recommended; penalties higher than 50
indicate poor analogy and mandate extensive validation/optimization.
The penalties in the .str file of my structure are not higher than 50, but
there are some penalties between 10 and 50.
Could you tell me what does basic validation mean? What kind of
optimizations or calculations should I perform?
Truly yours,
Farideh
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