27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Info: Finished reading file (/tmp/tmp25n7akaq/ante.in.mol2); atoms read (160), bonds read (167). 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Finished reading file 27 October 2022,09:44:03 prefect.ShellTask INFO (/tmp/tmp25n7akaq/ante.in.mol2); atoms read (160), bonds read (167).` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Finished reading file 27 October 2022,09:44:03 prefect.ShellTask INFO (/tmp/tmp25n7akaq/ante.in.mol2); atoms read (160), bonds read (167).` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Info: Determining atomic numbers from atomic symbols which are case sensitive. 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Determining atomic numbers from atomic 27 October 2022,09:44:03 prefect.ShellTask INFO symbols which are case sensitive.` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Determining atomic numbers from atomic 27 October 2022,09:44:03 prefect.ShellTask INFO symbols which are case sensitive.` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Running: /usr/lib/ucsf-chimerax/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o 27 October 2022,09:44:03 prefect.ShellTask INFO ANTECHAMBER_BOND_TYPE.AC -f ac` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o 27 October 2022,09:44:03 prefect.ShellTask INFO ANTECHAMBER_BOND_TYPE.AC -f ac` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Running: /usr/lib/ucsf-chimerax/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC 27 October 2022,09:44:03 prefect.ShellTask INFO -p gaff` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC 27 October 2022,09:44:03 prefect.ShellTask INFO -p gaff` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Info: Total number of electrons: 686; net charge: 0 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Total number of electrons: 686; net 27 October 2022,09:44:03 prefect.ShellTask INFO charge: 0` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Total number of electrons: 686; net 27 October 2022,09:44:03 prefect.ShellTask INFO charge: 0` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) Running: /usr/lib/ucsf-chimerax/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out 27 October 2022,09:44:03 prefect.ShellTask INFO INFO: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS: 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf- 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` 27 October 2022,09:44:03 prefect.ShellTask INFO 27 October 2022,09:44:03 prefect.ShellTask INFO