Re: [AMBER] amber-Gaussian find the transition

From: Brian Radak <>
Date: Sun, 07 Sep 2014 09:23:18 -0400

The AMBER/Gaussian interface, to my knowledge, is only for using quantum
chemical methods in Gaussian in AMBER, not for using the AMBER potential
in Gaussian; what you describe is the opposite.

The Gaussian website describes how to do this via the "external"
keyword, but you will have to write your own program/script. I have
written some kludgy scripts for this purpose, but I have no current
plans to release them publicly as I cannot guarantee accuracy, etc. If
you contact me off list, I might be able to provide help.


On 09/07/2014 05:04 AM, 王珍 wrote:
> Hi all,I want to use the Amber and Gaussian to find the transition for a large molecule in QM/MM. And I want to use the QST2, I donot know how to import the react state and the product state in the R.crd, Could you tell me the solution? Thank you in advance.
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Received on Sun Sep 07 2014 - 06:30:03 PDT
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