On Wed, Apr 13, 2011, Brendan Duggan wrote:
> I would like to compare order parameters from my simulations to those
> derived from NMR relaxation measurements. There has been some discussion of
> this on the mailing list in the recent past and I was wondering if an
> example has been posted as mentioned here (
> http://archive.ambermd.org/201005/0060.html), or if the method described
> here (http://archive.ambermd.org/201005/0071.html) is still the best way to
> go about it?
I think the second URL above is still the best, along with just doing ired
analysis, which has gotten better recently. We still need to post a tutorial
about all of this....
If you experience Amber problems, please post details to the list: a couple of
people in my group (not me!) have IRED experience and can probably help with
debugging.
...dac
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Received on Fri Apr 15 2011 - 09:00:02 PDT
