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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