Hi, I have a pdb file which contains a Cl ion. I have changed the corresponding line as follow:
HETATM 2629 CL-1 CL1 a 403 22.963 23.915 -56.184 1.00 16.70 Cl
but it does not work and the error message says: “Your PDB contains an elemental ion CL with inconsistent charge”.
I have also try to put
HETATM 2629 CL-1 CL-1 a 403 22.963 23.915 -56.184 1.00 16.70 Cl
but then this message pop-up: “ATOM/HETATM line does not meet the expected format”, I guess because I mess up the column format.
How should I do?
The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to http://www.bonvinlab.org/software/haddock2.2