I am trying to dock 5 ligands into 5 different binding sites of 1 protein. However I got an error in the generate_complex.out:
%PUSEND error encountered: exceeded ENDMAX (COMAND) parameter --> recompile program
(CNS is in mode: SET ABORT=NORMal END)
How can solve this problem? Where do I find de ENDMAX parameter?
Thank you in advance;
Search into the CNS installation source directory, in the *.inc files.
And why 5 at the same time? If this is causing problems, simply do one at the time.
Thank you! I have already solve the problem.
The reason why I want to dock 5 small ligands in one go is because I want to save time.
Dear Rui Ribeiro,
Could you elaborate how you solved the problem? I am trying to dock 5 peptides to a single site on the protein and getting the same error. Which .inc file has the ENDMAX paramater?
Any suggestions would be very helpful.
(P.S. I plan to dock many more peptides to my protein and hence using the server is not an option.)