malecul Failed Antechamber

Task Info

Created Time

11/25/2021 11:44:06 AM

Updated Time

11/25/2021 11:44:19 AM


Output Files


Output Message

Welcome to antechamber 20.0: molecular input file processor. ---Judge bond type for Residue 1 with ID of 1 and Name of MOL --- ---Judge bond type for Residue 2 with ID of 2 and Name of MOL ---

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.