test Failed Antechamber

Task Info

Created Time

4/29/2022 9:51:29 AM

Updated Time

4/29/2022 9:51:39 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: 95; net charge: -18 Info: The number of electrons is odd (95). Please check the total charge (-nc flag) and spin multiplicity (-m flag). 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.