Parametrizer
The Parametrizer module optimizes the molecular geometry and computes partial charges for the electrostatic force field used in Deposit. Further information on applicability, method and algorithm is available in the Parametrizer Documentation or here: Parametrization.pdf
- Follow the links to find out how to use Parametrizer GUI.
- Check out the Parametrizer webinars for step-by-step instructions
Preceding module: None. Proceding module: Deposit or DihedralParametrizer
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