Mai
Failed
Antechamber
Task Info
Created Time
11/7/2023 9:45:38 PM
Updated Time
11/7/2023 9:45:46 PM
Progress
Output Files
Information
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).
Error Message
/usr/local/amber/bin/to_be_dispatched/antechamber: Fatal Error! Cannot generate RESP charges. Invalid input selections: The RESP charge method requires a Gaussian output file, i.e. -fi gout -gv 0 or a Gaussian ESP file, i.e. -fi gesp -gv 1 or a GAMESS dat file, i.e. -fi gamess.