Task Info
Created Time
10/5/2023 12:34:25 AM
Updated Time
10/5/2023 12:34:33 AM
Progress
Output Files
Information
Output Message
Welcome to antechamber 20.0: molecular input file processor. Warning: Detected more than 10 Residue sequence numbers; this may be a large multiple residue PDB file; large multiple residue PDB files are not supported. This warning usually indicates a conceptual misunderstanding. We recommend reviewing the Information flow in Amber documentation and the antechamber tutorials. Continuing, but problems may be encountered. Info: The bond number exceeds MAXBOND, reallocate memory automatically Info: The number of bonds (512) exceeded MAXBOND. Info: The number of bonds (512) exceeded MAXBOND. Info: Total number of electrons: 7434; net charge: 3 Running: /usr/local/amber/bin/mopac.sh
Error Message
/usr/local/amber/bin/to_be_dispatched/antechamber: Fatal Error! Unable to find mopac charges in file (mopac.out). Verify the filename and the file contents.