test Failed Antechamber

Task Info

Created Time

10/17/2023 9:55:10 AM

Updated Time

10/17/2023 9:55:23 AM


Output Files


Output Message

Welcome to antechamber 20.0: molecular input file processor. Warning: For atom (ID: 8, Name: Se1) the best APS is not zero. Bonds involving this atom are frozen.

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.