4 Failed Antechamber

Task Info

Created Time

3/7/2022 10:15:55 AM

Updated Time

3/7/2022 10:16:29 AM


Output Files


Output Message

Welcome to antechamber 20.0: molecular input file processor. Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). Info: Total number of electrons: 226; net charge: 0 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.