| 1 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 2 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 3 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 4 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 5 | 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).
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| 6 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 7 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Finished reading file
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| 8 | 27 October 2022,09:44:03 prefect.ShellTask INFO (/tmp/tmp25n7akaq/ante.in.mol2); atoms read (160), bonds read (167).`
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| 9 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 10 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 11 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Finished reading file
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| 12 | 27 October 2022,09:44:03 prefect.ShellTask INFO (/tmp/tmp25n7akaq/ante.in.mol2); atoms read (160), bonds read (167).`
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| 13 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 14 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 15 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 16 | 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.
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| 17 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 18 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Determining atomic numbers from atomic
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| 19 | 27 October 2022,09:44:03 prefect.ShellTask INFO symbols which are case sensitive.`
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| 20 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 21 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 22 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Determining atomic numbers from atomic
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| 23 | 27 October 2022,09:44:03 prefect.ShellTask INFO symbols which are case sensitive.`
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| 24 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 25 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 26 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 27 | 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
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| 28 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 29 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 30 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
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| 31 | 27 October 2022,09:44:03 prefect.ShellTask INFO ANTECHAMBER_BOND_TYPE.AC -f ac`
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| 32 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 33 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 34 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 35 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
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| 36 | 27 October 2022,09:44:03 prefect.ShellTask INFO ANTECHAMBER_BOND_TYPE.AC -f ac`
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| 37 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 38 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 39 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 40 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG)
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| 41 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 42 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 43 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 44 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 45 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 46 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 47 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 48 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 49 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG)
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| 50 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 51 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 52 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 53 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 54 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 55 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 56 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 57 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 58 | 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
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| 59 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 60 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 61 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC
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| 62 | 27 October 2022,09:44:03 prefect.ShellTask INFO -p gaff`
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| 63 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 64 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 65 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 66 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC
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| 67 | 27 October 2022,09:44:03 prefect.ShellTask INFO -p gaff`
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| 68 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 69 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 70 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 71 | 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
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| 72 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 73 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Total number of electrons: 686; net
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| 74 | 27 October 2022,09:44:03 prefect.ShellTask INFO charge: 0`
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| 75 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 76 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 77 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Info: Total number of electrons: 686; net
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| 78 | 27 October 2022,09:44:03 prefect.ShellTask INFO charge: 0`
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| 79 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 80 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 81 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 82 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG)
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| 83 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 84 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 85 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 86 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 87 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) ``
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| 88 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 89 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 90 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 91 | 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
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| 92 | 27 October 2022,09:44:03 prefect.ShellTask INFO INFO:
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| 93 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 94 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out`
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| 95 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 96 | 27 October 2022,09:44:03 prefect.ShellTask INFO STATUS:
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| 97 | 27 October 2022,09:44:03 prefect.ShellTask INFO (MLU+OMZ+GHP+BGC+GHP+OMY+3FG) `Running: /usr/lib/ucsf-
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| 98 | 27 October 2022,09:44:03 prefect.ShellTask INFO chimerax/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out`
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| 99 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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| 100 | 27 October 2022,09:44:03 prefect.ShellTask INFO
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