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