Hi all,
I am attempting to run a simulated annealing protocol, but there are chiral
inversions which prevent accurate measurement of dihedral angles. I figured
chiral restraints would help. The file "gacc.z" was generated by ambpdb and
should serve as the input, and "chi.z" should be the restraint output file,
as described in page 196 of the AMBER9 manual. I copied the script
makeCHIR_RST to the working directory, and added definitions for RNA.
[con.malatya02 nmr]$ makeCHIR_RST gacc.z chi.z
(using /bin/gawk)
0 chiral restraints generated in chi.z
but as the above says, there is no output. I can find very little
information on the net about this, unfortunately.
Your help is much appreciated,
-Dave
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Received on Sat Jul 30 2011 - 17:00:03 PDT
