Re: [AMBER] resp charges

From: FyD <>
Date: Thu, 18 May 2017 13:50:46 +0200

Dear Jacopo,

If you use PyRED (the Python version of the R.E.D. (perl) program) at
R.E.D. Server Development at 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

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Received on Thu May 18 2017 - 05:00:01 PDT
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