AMBER Archive (2006)

Subject: AMBER: Error in reading RDC data

From: Lee, Young-Tae (
Date: Wed Sep 13 2006 - 15:09:42 CDT


I am trying to use RDCs for structural refinement. First I am trying to minimize structures after CYANA calculation. Amber does not read my RDC file.

 Alignment info will be read from file: RDC.dimer
 Here are comments from the alignment input file:
 namelist reports error reading &align

My RDC file is following.

   id(1)=30, jd(1)=31, dobs(1)= -2.85,
   id(2)=55, jd(2)=56, dobs(2)= 3.47,
   id(3)=103, jd(3)=104, dobs(3)= 2.26,
   id(4)=177, jd(4)=178, dobs(4)= 5.72,

What could be a problem in the file?


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