-
Notifications
You must be signed in to change notification settings - Fork 0
/
#npt_temp.xvg.2#
135 lines (135 loc) · 3.33 KB
/
#npt_temp.xvg.2#
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
# This file was created Sun Dec 17 00:38:54 2023
# Created by:
# :-) GROMACS - gmx energy, 2023.3 (-:
#
# Executable: /usr/local/gromacs/bin/gmx
# Data prefix: /usr/local/gromacs
# Working dir: /home/saabir/polyply/mytests/pma_pmma
# Command line:
# gmx energy -f npt.edr -o npt_temp.xvg
# gmx energy is part of G R O M A C S:
#
# Good gRace! Old Maple Actually Chews Slate
#
@ title "GROMACS Energies"
@ xaxis label "Time (ps)"
@ yaxis label "(K)"
@TYPE xy
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "Temperature"
0.000000 412.603394
1.000000 412.291077
2.000000 411.782501
3.000000 413.145325
4.000000 413.238007
5.000000 409.793396
6.000000 412.871185
7.000000 413.885345
8.000000 417.380768
9.000000 414.220184
10.000000 417.807190
11.000000 412.415771
12.000000 411.631439
13.000000 413.666809
14.000000 413.573486
15.000000 413.436157
16.000000 414.943909
17.000000 416.889160
18.000000 410.968628
19.000000 412.029327
20.000000 415.526459
21.000000 413.342438
22.000000 414.508698
23.000000 413.544769
24.000000 413.934845
25.000000 410.912476
26.000000 414.719421
27.000000 412.561523
28.000000 415.479767
29.000000 411.392944
30.000000 414.843048
31.000000 414.076385
32.000000 411.511047
33.000000 413.857086
34.000000 411.450989
35.000000 414.028229
36.000000 411.846191
37.000000 413.402863
38.000000 412.962769
39.000000 413.888702
40.000000 413.443695
41.000000 412.116486
42.000000 417.197723
43.000000 413.896149
44.000000 412.749268
45.000000 412.599274
46.000000 411.755920
47.000000 411.312042
48.000000 416.702576
49.000000 413.427643
50.000000 413.500916
51.000000 413.177277
52.000000 412.332245
53.000000 418.841034
54.000000 413.180237
55.000000 415.060364
56.000000 413.481750
57.000000 409.891541
58.000000 412.109772
59.000000 414.831665
60.000000 409.801605
61.000000 412.569244
62.000000 413.176178
63.000000 413.008789
64.000000 413.424988
65.000000 411.464447
66.000000 413.493317
67.000000 411.898346
68.000000 411.833801
69.000000 416.182922
70.000000 409.659454
71.000000 413.698608
72.000000 411.517548
73.000000 415.438812
74.000000 411.289978
75.000000 411.913086
76.000000 414.894043
77.000000 414.815338
78.000000 414.755981
79.000000 414.472900
80.000000 414.547119
81.000000 414.430389
82.000000 412.530365
83.000000 412.219055
84.000000 415.659973
85.000000 415.361938
86.000000 414.472931
87.000000 411.007233
88.000000 409.518433
89.000000 412.889954
90.000000 416.034149
91.000000 413.416931
92.000000 412.262695
93.000000 411.603271
94.000000 414.014404
95.000000 411.672791
96.000000 415.747650
97.000000 415.096680
98.000000 414.018738
99.000000 414.502533
100.000000 409.990997
101.000000 411.114319
102.000000 411.668640
103.000000 414.425903
104.000000 413.990326
105.000000 411.498047
106.000000 412.180756
107.000000 410.771057
108.000000 408.876770
109.000000 411.897217
110.000000 411.689575