test Failed Antechamber

Task Info

Created Time

3/28/2021 10:25:31 AM

Updated Time

3/28/2021 10:25:33 AM


Output Files


Output Message

Welcome to antechamber 20.0: molecular input file processor. acdoctor mode is on: check and diagnose problems in the input file. -- Check Format for sdf File -- Status: pass -- Check Unusual Elements -- Status: pass -- Check Open Valences -- Status: pass -- Check Geometry -- for those bonded for those not bonded Status: pass -- Check Weird Bonds -- Status: pass -- Check Number of Units -- Status: pass acdoctor mode has completed checking the input file. Info: Total number of electrons: 162; net charge: 0 Running: /usr/local/amber/bin/mopac.sh

Error Message

/usr/local/amber/bin/to_be_dispatched/antechamber: Fatal Error! Unable to find mopac charges in file (mopac.out). Verify the filename and the file contents.