Hi,
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
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My RDC file is following.
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&align
dcut=-1.0,
freezemol=.false.,
ndip=82,
dwt=1.0,
gigj=82*-3.1631,
iscale=5,
s11=-14.216,
s12=18.575,
s13=13.624,
s22=2.8373,
s23=-0.62598,
dij=1.041,
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,
......
......
&end
----------------<
What could be a problem in the file?
Thanks,
Young-Tae
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Received on Sun Sep 17 2006 - 06:07:07 PDT
