lig_ds Failed Antechamber

Task Info

Created Time

11/11/2021 5:56:00 PM

Updated Time

11/11/2021 5:56:01 PM

Progress


Output Files


Information

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 --- ---Judge bond type for Residue 3 with ID of 3 and Name of MOL --- Info: Bond types are assigned for valence state (11) with penalty (1). ---Judge bond type for Residue 4 with ID of 4 and Name of MOL --- ---Judge bond type for Residue 5 with ID of 5 and Name of MOL --- ---Judge bond type for Residue 6 with ID of 6 and Name of MOL --- ---Judge bond type for Residue 7 with ID of 7 and Name of MOL --- ---Judge bond type for Residue 8 with ID of 8 and Name of MOL --- ---Judge bond type for Residue 9 with ID of 9 and Name of MOL --- ---Judge bond type for Residue 10 with ID of 10 and Name of MOL --- ---Judge bond type for Residue 11 with ID of 11 and Name of MOL --- ---Judge bond type for Residue 12 with ID of 12 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.