[AMBER] add support 4 file format antechamber

From: Sofia Vasilakaki <svasilak.chem.uoa.gr>
Date: Thu, 12 Nov 2015 20:50:14 +0200


Since there has been little discussion of the upcoming release of Amber
(which is great news for Maxwell cards' fans), I was wondering if there is
any chance you could add support for Orca file format to be used with
Antechamber and generate resp charges. Not sure if this is possible..

For reasons, gaussian wont work for me and gamess has some issues but Orca
it does work. Not great scalability, but it is easy, free and has a lot of
different basis sets and methods.

OR, any alternatives?

Thank you in advance,
Sofia V.

               Dr. Sofia Vasilakaki
     Affiliated with National and Kapodistrian
               University of Athens
 Chemistry Department, Division of Organic Chemistry
  LinkedIn URL: gr.linkedin.com/in/SofiaVasilakaki
 www.monster.co.uk URL: beknown.com/Sofia_Vasilakaki

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Received on Thu Nov 12 2015 - 11:00:05 PST
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