question

Jiro Takei j.takei at bris.ac.uk
Fri Jan 16 11:16:31 EST 1998


Dear X-plorers,

I wonder if anybody could help me.

I'm generating a template .pdb file for nmr structure determination of a
29 residue peptide.  After successfully generated .psf file, I tried
creating the template and got an error message like this.

 %CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
  angle energy constant missing.
  target angle value missing.
  ATOM1: SEGId="newg",  RESId="1   ",  NAME="HT1 ",  CHEMical="HC  "
  ATOM2: SEGId="newg",  RESId="1   ",  NAME="N   ",  CHEMical="NH3 "
  ATOM3: SEGId="newg",  RESId="1   ",  NAME="CD  ",  CHEMical="CP  "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
  angle energy constant missing.
  target angle value missing.
  ATOM1: SEGId="newg",  RESId="1   ",  NAME="CD  ",  CHEMical="CP  "
  ATOM2: SEGId="newg",  RESId="1   ",  NAME="N   ",  CHEMical="NH3 "
  ATOM3: SEGId="newg",  RESId="1   ",  NAME="HT2 ",  CHEMical="HC  "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODANG-ERR: program will be aborted.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating

This never happened before. I have no idea why. Anybody had the same
problem?  Could it be wrong specification of parameter files? I used
parallhdg.pro. Or is it something else?

Jiro
mailto:J.Takei at bris.ac.uk

-- 
Jiro Takei
Department of Biochemistry
University of Bristol
Bristol BS1 5QT, UK
tel:	+44-117-928-9000 x. 4359
fax:	+44-117-928-8274
-----
mailto:J.Takei at bris.ac.uk
http://www.bch.bris.ac.uk/staff/cd/jt/index.html



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