[AMBER] about Paramfit

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Albert <mailmd2011.gmail.com>
Date: Fri, 6 Oct 2017 23:03:21 +0200

Hello,

I am following Paramfit tutorial

http://ambermd.org/tutorials/advanced/tutorial23/paramfit_7.html

However, I noticed that it need Gaussian for the QM calculation. I am
just wondering is it possible to use other QM software such as ORCA
which is free for this step? I don't have a license for Gaussian.

Thank you very much.

Albert

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 06 2017 - 14:30:02 PDT