CNS, anneal.inp

Holly Berkovits holly at
Mon Mar 6 12:18:02 EST 2000

   I am a new user to CNS with no previous experience with x-plor. I am
working on an NMR structure.
   I have generated an initial structure with generate_extended.inp.  I am
now trying to generate strucures with anneal.inp from there. I set it to
give me 10 accepted structures.  When I run the inp, it gives me two trial
and accepted structures, then it quits, I believe while working on the
third structure.  In the log, it gives a series of:
    ERROR: matrix is not a rotation matrix   
followed by:
   %ATM-CHK-ERR: unknown coordinates for the atom......
for each atom.

I don't understand where the problem is coming from, since it generates
two structures successfully.  Can you help?  Thank you!   Holly

			  Holly Berkovits			
	      Dept. of Biophysics and Biophysical Chemistry
		   Johns Hopkins School of Medicine
		      holly at


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