AMBER Archive (2008)

Subject: AMBER: NMR refinement

From: teresa.ierano_at_unina.it
Date: Mon Jun 30 2008 - 05:37:48 CDT

Dear Amber users,
I have problem with NMR refinement.
I read and followed the tutorial for Amber refinement of a DNA duplex
and it works but I when I apply the same instructions to my
oligosaccharide molecule it gives a message of error saying that it
doesn't recognise my fragments.
Then I tried to modify the file MAP (map.DG-AMBER called by default by
typing makeDIST_RIST)in order to insert in it my fragments by it
doesn't work again saying this time that it doesn't found the "NOE
pathway".
How can I proceed with oligosaccharide and with carbohydrates in general?

All the best,

Teresa Ierano'
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