Re: [AMBER] resp charges

From: Alessandro Contini <alessandro.contini.unimi.it>
Date: Wed, 17 May 2017 10:27:19 +0200

Dear Jacopo,
actually there is not an easier way, but there is a "different" way,
that avoid the use of Gaussian, which is the use of the RED perl scripts
(supporting GAMESS, which should be available for free). Alternatively,
you can use the RED on line server.

http://upjv.q4md-forcefieldtools.org/RED/

Best regards,

Alessandro

Il 17/05/2017 10:11, Jacopo Sgrignani ha scritto:
> Dear All
> 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.
>
> Thanks in advance
>
> Jacopo
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>


-- 
Alessandro Contini, PhD
Dipartimento di Scienze Farmaceutiche
Sezione di Chimica Generale e Organica "A. Marchesini"
Via Venezian, 21 20133 Milano
tel. +390250314480
e-mail alessandro.contini.unimi.it
skype alessandrocontini
http://www.scopus.com/authid/detail.url?authorId=7003441091
http://orcid.org/0000-0002-4394-8956
http://www.researcherid.com/rid/F-5064-2012
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Received on Wed May 17 2017 - 01:30:04 PDT
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