Error message.

Balaji Bhyravbhatla balaji at sb.fsu.edu
Mon Aug 10 12:55:19 EST 1998


Hi All,
I am getting this error messgage and am not able to figure out why it is
coming. I am running check.inp 
I have the top and par files stup with the energies etc.

Thanks for suggestions.

Balaji


 X-PLOR> minimize powell                             {*Invoke the Powell
minimizer.*} 
 POWELL> 
 POWELL>   nstep=40                                                 {*Do
40 cycles.*} 
 POWELL> 
 POWELL>   drop=40.0                                 {*This is the
expected initial*} 
 POWELL>                                             {*drop in energy;
the value is*} 
 POWELL>                                             {*not critical:
40.0 should be*} 
 POWELL>                                             {*reasonable in
most cases.   *} 
 POWELL> 
 POWELL> end                                            {*Minimization
is executed.*} 
 POWELL: number of degrees of freedom= 15405
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="AAAA",  RESId="10  ",  NAME="SD  ",  CHEMical="SM  "
  ATOM2: SEGId="AAAA",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="AAAA",  RESId="102 ",  NAME="O   ",  CHEMical="O   "
  ATOM2: SEGId="AAAA",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="AAAA",  RESId="102 ",  NAME="OD1 ",  CHEMical="OCZ "
  ATOM2: SEGId="AAAA",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="BBBB",  RESId="10  ",  NAME="SD  ",  CHEMical="SM  "
  ATOM2: SEGId="BBBB",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="BBBB",  RESId="102 ",  NAME="O   ",  CHEMical="O   "
  ATOM2: SEGId="BBBB",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="BBBB",  RESId="102 ",  NAME="OD1 ",  CHEMical="OCZ "
  ATOM2: SEGId="BBBB",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="CCCC",  RESId="10  ",  NAME="SD  ",  CHEMical="SM  "
  ATOM2: SEGId="CCCC",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="CCCC",  RESId="102 ",  NAME="O   ",  CHEMical="O   "
  ATOM2: SEGId="CCCC",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="CCCC",  RESId="102 ",  NAME="OD1 ",  CHEMical="OCZ "
  ATOM2: SEGId="CCCC",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="DDDD",  RESId="10  ",  NAME="SD  ",  CHEMical="SM  "
  ATOM2: SEGId="DDDD",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="DDDD",  RESId="102 ",  NAME="O   ",  CHEMical="O   "
  ATOM2: SEGId="DDDD",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
  bond energy constant missing.
  target bond length missing.
  ATOM1: SEGId="DDDD",  RESId="102 ",  NAME="OD1 ",  CHEMical="OCZ "
  ATOM2: SEGId="DDDD",  RESId="252 ",  NAME="NI  ",  CHEMical="NI2 "
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %CODBON-ERR: program will be aborted.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating

-- 
Florida State University                           
Institute of Molecular Biophysics                   
Room 412 -- (850) 644 6547                       
balaji at sb.fsu.edu OR bbhyravbhatla at hotmail.com



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