Re: [AMBER] Practical questions on NMR-refinment

From: David A Case <david.case.rutgers.edu>
Date: Thu, 4 Mar 2021 16:20:27 -0500

On Thu, Mar 04, 2021, Gustavo Seabra wrote:

>I was under the impression I could use the intensities with the `-vol`
>option, as described in page 554:
>
>"The format for the -vol option is the same as for the -upb option except
>that the seventh column holds a peak
>intensity (volume) value, rather than a distance upper bound."

I had completely forgotten about this option. Looks like you would need
to use the -svf option as well, but you would have to play around with
things. There's an example in amber20/test/noesy, but look at the dates of
the files: they are from the mid 1990's. So, caveat emptor.

>Still, if I understand correctly, the best option is to use the distances,
>right?

Yes....regards...dave


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 04 2021 - 13:30:02 PST
Custom Search