Mercurial > repos > chemteam > biomd_extract_clusters
comparison test-data/pull2.xvg @ 1:078dfd7fb26d draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author | chemteam |
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date | Fri, 11 Sep 2020 21:55:13 +0000 |
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0:ad49025ba90d | 1:078dfd7fb26d |
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1 # This file was created Sat Jan 11 15:14:02 2020 | |
2 # Created by: | |
3 # :-) GROMACS - gmx mdrun, 2019.1 (-: | |
4 # | |
5 # Executable: /usr/local/bin/gmx | |
6 # Data prefix: /usr/local | |
7 # Working dir: /data/share/staging/6673627/working | |
8 # Command line: | |
9 # gmx mdrun -nt 16 -deffnm outp | |
10 # gmx mdrun is part of G R O M A C S: | |
11 # | |
12 # GROup of MAchos and Cynical Suckers | |
13 # | |
14 @ title "Pull force" | |
15 @ xaxis label "Time (ps)" | |
16 @ yaxis label "Force (kJ/mol/nm)" | |
17 @TYPE xy | |
18 0.0000 -5098.38 | |
19 0.0020 -63.1292 | |
20 0.0040 -58.0201 | |
21 0.0060 -567.151 | |
22 0.0080 -915.192 | |
23 0.0100 -1147.66 | |
24 0.0120 -1194.57 | |
25 0.0140 -1025.71 | |
26 0.0160 -619.358 | |
27 0.0180 -30.7206 | |
28 0.0200 628.788 | |
29 0.0220 1186.76 | |
30 0.0240 1499.87 | |
31 0.0260 1501.01 | |
32 0.0280 1225.59 | |
33 0.0300 728.864 | |
34 0.0320 73.4782 | |
35 0.0340 -609.651 | |
36 0.0360 -1241.19 | |
37 0.0380 -1714.09 | |
38 0.0400 -1926.53 | |
39 0.0420 -1825.85 | |
40 0.0440 -1343.11 | |
41 0.0460 -875.662 | |
42 0.0480 -137.674 | |
43 0.0500 424.689 | |
44 0.0520 813.554 | |
45 0.0540 1028.83 | |
46 0.0560 1080.86 | |
47 0.0580 1012.46 | |
48 0.0600 876.583 | |
49 0.0620 713.725 | |
50 0.0640 570.333 | |
51 0.0660 475.042 | |
52 0.0680 392.949 | |
53 0.0700 224.142 | |
54 0.0720 -50.0798 | |
55 0.0740 -394.081 | |
56 0.0760 -697.375 | |
57 0.0780 -847.788 | |
58 0.0800 -757.177 | |
59 0.0820 -440.838 | |
60 0.0840 160.155 | |
61 0.0860 304.292 | |
62 0.0880 804.365 | |
63 0.0900 951.843 | |
64 0.0920 801.215 | |
65 0.0940 418.322 | |
66 0.0960 -64.6304 | |
67 0.0980 -449.703 | |
68 0.1000 -559.593 | |
69 0.1020 -338.869 | |
70 0.1040 98.9362 | |
71 0.1060 546.434 | |
72 0.1080 882.254 | |
73 0.1100 1007.2 | |
74 0.1120 882.558 | |
75 0.1140 546.07 | |
76 0.1160 148.665 | |
77 0.1180 -57.5016 | |
78 0.1200 49.9737 | |
79 0.1220 409.28 | |
80 0.1240 1040.8 | |
81 0.1260 684.824 | |
82 0.1280 692.54 | |
83 0.1300 134.317 | |
84 0.1320 -629.767 | |
85 0.1340 -1376.01 | |
86 0.1360 -1941.02 | |
87 0.1380 -2059.37 | |
88 0.1400 -1616.22 | |
89 0.1420 -670.138 | |
90 0.1440 475.235 | |
91 0.1460 1491.31 | |
92 0.1480 2085.01 | |
93 0.1500 2105.1 | |
94 0.1520 1531.93 | |
95 0.1540 553.708 | |
96 0.1560 -497.426 | |
97 0.1580 -1283.86 | |
98 0.1600 -1568.59 | |
99 0.1620 -1327.71 | |
100 0.1640 -455.275 | |
101 0.1660 -393.621 | |
102 0.1680 265.539 | |
103 0.1700 336.479 | |
104 0.1720 66.7614 | |
105 0.1740 -435.565 | |
106 0.1760 -1029.08 | |
107 0.1780 -1534.97 | |
108 0.1800 -1795.16 | |
109 0.1820 -1760.74 | |
110 0.1840 -1399.95 | |
111 0.1860 -849.902 | |
112 0.1880 -285.645 | |
113 0.1900 176.529 | |
114 0.1920 484.836 | |
115 0.1940 615.295 | |
116 0.1960 570.901 | |
117 0.1980 319.342 | |
118 0.2000 -63.7999 |