dmba Failed Antechamber

Task Info

Created Time

2/10/2020 12:06:04 AM

Updated Time

2/10/2020 12:06:13 AM


Output Files


Output Message

Error: cannot run "/usr/local/amber/bin/espgen -o ANTECHAMBER.ESP -i input.gout" in resp() of charge.c properly, exit

Error Message

Error: No ESP fitting centers and fitting values exist, adding 'iop(6/33=2) iop(6/42=6)' to the key word list