Dear Jacopo,
If you use PyRED (the Python version of the R.E.D. (perl) program) at
R.E.D. Server Development at
http://q4md-forcefieldtools.org/REDServer-Development/ you will be
able to generate entire force fields i.e. not only RESP charges using
many different versions of Gaussian, GAMESS-US and Firefly QM codes.
The charge values are reproducible whatever is the QM code.
regards, Francois
> I would like to ask you if there are some 'easy' alternatives to generate
> resp charges with antechamber without using Gaussian.
>
> I had a look to the list but I'm not sure of the present situation because
> some messages are quite old.
>
> In our lab we have some QM packages as Jaguar, Orca and I have experience
> with Cp2k.
F.-Y. Dupradeau
---
http://q4md-forcefieldtools.org/FyD/
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Received on Thu May 18 2017 - 05:00:01 PDT
