I am trying to patch a lysine residue to a cofactor with the following
toplogy and parameter statements.
PRESidue PPLP ! Patch for PLP . Patch residues must be 1-LYS, and 2-PLP
.
ADD BOND 2C4A 1NZ
ADD ANGLE 1CE 1NZ 2C4A
{}
DIHE 1CE 1NZ 2C4A 2C4
IMPR 2C4 2C4A 1NZ 1CE
END {PPLP}
the parameter file entry is:
BOND 2C4A 1NZ 3020.0 1.500 !
When I try to do posistional refinement I get the following error
message
%CODBON-ERR: missing bond parameters %%%%%%%%%%%%%%%%%%%%%%%%%%
bond energy constant missing.
target bond length missing.
ATOM1: SEGId="P ", RESId="1 ", NAME="C4A ", CHEMical="CX13"
ATOM2: SEGId="B ", RESId="87 ", NAME="NZ ", CHEMical="NH3 "
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%CODBON-ERR: program will be aborted.
Can you give me some advice on this
Chris
