Dear All,
I want to generate restrain based on the RDC data from out NMR expt.
The data file is of following form:
2 -6.2
3 -8.75
4 -20.6
5 -12.03
6 -13.13
I have generate the RST.dip and RST.angle using this commadt:
>makeDIP_RST.protein -pdb protein.pdb -angle RST.ang -dip RST.dip -type NH -file rdc.dat
The RST.dip looks like this:
&align
id(1)=25, jd(1)=26, dobs(1)= -6.20,
id(2)=36, jd(2)=37, dobs(2)= -8.75,
id(3)=55, jd(3)=56, dobs(3)= -20.60,
id(4)=72, jd(4)=73, dobs(4)= -12.03,
id(5)=91, jd(5)=92, dobs(5)= -13.13,
&end
How can I get the output with the limiting values (dobsu and dobsl)?
Thanks for your comments and suggestions.
With best regards,
Rahul
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 06 2012 - 14:00:02 PST
