Re: [AMBER] Puckering parameters for pyranose ring

From: David A Case <>
Date: Mon, 9 Jul 2018 08:41:59 -0400

On Mon, Jul 09, 2018, Rajarshi Roy wrote:

> Thank you for a prompt reply to my inquiry. I have a query. Is this second
> column of my data is phi? When I am plotting this data, I did not get any
> meaningful explanation. I attached the output file and the plot. Can anyone
> please explain how to interpret the data?

The second column (with the <name> you gave in the input command,) is the
pucker in degrees. See the "Data Sets Created:" listing in section
30.10.57 of the Amber2018 Reference Manual.


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Received on Mon Jul 09 2018 - 06:00:10 PDT
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