[Xplor-nih] %CODBON-ERR: missing bond parameters
pflueger at charter.net
pflueger at charter.net
Wed Apr 2 08:46:23 EDT 2008
I have added hydroxyproline parameters to the protein.par and protein.top.
When I run the generate script (to get an ideal geometry pdb from the psf) I get the error
%CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
bond energy constant missing.
target bond length missing.
ATOM1: SEGId=" ", RESId="12 ", NAME="CG ", CHEMical="CP "
ATOM2: SEGId=" ", RESId="12 ", NAME="OD1 ", CHEMical="OH "
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%CODBON-ERR: program will be aborted.
This error is only in xplor-nih. When I run it on xplor 3.8 it works.
What file or parameter do I need to adjust to fix this error in xplor-nih?
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