2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <Energy Name="dVrestraint/dl">
5 <Real Name="Time 0.000000 Step 0 in frame 0">-0.0017845253</Real>
6 <Real Name="Time 0.001000 Step 1 in frame 1">-0.20649473</Real>
7 <Real Name="Time 0.002000 Step 2 in frame 2">-0.88067615</Real>
8 <Real Name="Time 0.003000 Step 3 in frame 3">-2.0502455</Real>
9 <Real Name="Time 0.004000 Step 4 in frame 4">-3.6400084</Real>
10 <Real Name="Time 0.005000 Step 5 in frame 5">-5.480237</Real>
11 <Real Name="Time 0.006000 Step 6 in frame 6">-7.3483849</Real>
12 <Real Name="Time 0.007000 Step 7 in frame 7">-9.0256014</Real>
13 <Real Name="Time 0.008000 Step 8 in frame 8">-10.344418</Real>
14 <Real Name="Time 0.009000 Step 9 in frame 9">-11.217576</Real>
15 <Real Name="Time 0.010000 Step 10 in frame 10">-11.644733</Real>
16 <Real Name="Time 0.011000 Step 11 in frame 11">-11.701072</Real>
17 <Real Name="Time 0.012000 Step 12 in frame 12">-11.512411</Real>
18 <Real Name="Time 0.013000 Step 13 in frame 13">-11.217535</Real>
19 <Real Name="Time 0.014000 Step 14 in frame 14">-10.925213</Real>
20 <Real Name="Time 0.015000 Step 15 in frame 15">-10.675436</Real>
21 <Real Name="Time 0.016000 Step 16 in frame 16">-10.427981</Real>
22 <Real Name="Time 0.017000 Step 17 in frame 17">-10.090236</Real>
23 <Real Name="Time 0.018000 Step 18 in frame 18">-9.5786381</Real>
24 <Real Name="Time 0.019000 Step 19 in frame 19">-8.87887</Real>
25 <Real Name="Time 0.020000 Step 20 in frame 20">-8.0764494</Real>
27 <Energy Name="dVremain/dl">
28 <Real Name="Time 0.000000 Step 0 in frame 0">0.37938046</Real>
29 <Real Name="Time 0.001000 Step 1 in frame 1">0.71741146</Real>
30 <Real Name="Time 0.002000 Step 2 in frame 2">1.0465975</Real>
31 <Real Name="Time 0.003000 Step 3 in frame 3">1.2678328</Real>
32 <Real Name="Time 0.004000 Step 4 in frame 4">1.3383287</Real>
33 <Real Name="Time 0.005000 Step 5 in frame 5">1.2764676</Real>
34 <Real Name="Time 0.006000 Step 6 in frame 6">1.1356837</Real>
35 <Real Name="Time 0.007000 Step 7 in frame 7">0.97462159</Real>
36 <Real Name="Time 0.008000 Step 8 in frame 8">0.84101969</Real>
37 <Real Name="Time 0.009000 Step 9 in frame 9">0.76719964</Real>
38 <Real Name="Time 0.010000 Step 10 in frame 10">0.76798582</Real>
39 <Real Name="Time 0.011000 Step 11 in frame 11">0.83693987</Real>
40 <Real Name="Time 0.012000 Step 12 in frame 12">0.94274735</Real>
41 <Real Name="Time 0.013000 Step 13 in frame 13">1.0322907</Real>
42 <Real Name="Time 0.014000 Step 14 in frame 14">1.0464549</Real>
43 <Real Name="Time 0.015000 Step 15 in frame 15">0.94714057</Real>
44 <Real Name="Time 0.016000 Step 16 in frame 16">0.74172461</Real>
45 <Real Name="Time 0.017000 Step 17 in frame 17">0.48587194</Real>
46 <Real Name="Time 0.018000 Step 18 in frame 18">0.25848758</Real>
47 <Real Name="Time 0.019000 Step 19 in frame 19">0.12333269</Real>
48 <Real Name="Time 0.020000 Step 20 in frame 20">0.10014974</Real>
50 <Energy Name="dVvdw/dl">
51 <Real Name="Time 0.000000 Step 0 in frame 0">-2.0825417</Real>
52 <Real Name="Time 0.001000 Step 1 in frame 1">-2.1342018</Real>
53 <Real Name="Time 0.002000 Step 2 in frame 2">-2.1840563</Real>
54 <Real Name="Time 0.003000 Step 3 in frame 3">-2.228199</Real>
55 <Real Name="Time 0.004000 Step 4 in frame 4">-2.2618012</Real>
56 <Real Name="Time 0.005000 Step 5 in frame 5">-2.2802336</Real>
57 <Real Name="Time 0.006000 Step 6 in frame 6">-2.2803528</Real>
58 <Real Name="Time 0.007000 Step 7 in frame 7">-2.2610927</Real>
59 <Real Name="Time 0.008000 Step 8 in frame 8">-2.2234628</Real>
60 <Real Name="Time 0.009000 Step 9 in frame 9">-2.1697109</Real>
61 <Real Name="Time 0.010000 Step 10 in frame 10">-2.1025841</Real>
62 <Real Name="Time 0.011000 Step 11 in frame 11">-2.0245776</Real>
63 <Real Name="Time 0.012000 Step 12 in frame 12">-1.9380425</Real>
64 <Real Name="Time 0.013000 Step 13 in frame 13">-1.8455036</Real>
65 <Real Name="Time 0.014000 Step 14 in frame 14">-1.7496431</Real>
66 <Real Name="Time 0.015000 Step 15 in frame 15">-1.6537619</Real>
67 <Real Name="Time 0.016000 Step 16 in frame 16">-1.5618367</Real>
68 <Real Name="Time 0.017000 Step 17 in frame 17">-1.477923</Real>
69 <Real Name="Time 0.018000 Step 18 in frame 18">-1.4059085</Real>
70 <Real Name="Time 0.019000 Step 19 in frame 19">-1.3492022</Real>
71 <Real Name="Time 0.020000 Step 20 in frame 20">-1.3098623</Real>
73 <Energy Name="Potential">
74 <Real Name="Time 0.000000 Step 0 in frame 0">-1400.7006</Real>
75 <Real Name="Time 0.001000 Step 1 in frame 1">-1405.3843</Real>
76 <Real Name="Time 0.002000 Step 2 in frame 2">-1408.8712</Real>
77 <Real Name="Time 0.003000 Step 3 in frame 3">-1408.9111</Real>
78 <Real Name="Time 0.004000 Step 4 in frame 4">-1404.5204</Real>
79 <Real Name="Time 0.005000 Step 5 in frame 5">-1396.3633</Real>
80 <Real Name="Time 0.006000 Step 6 in frame 6">-1386.295</Real>
81 <Real Name="Time 0.007000 Step 7 in frame 7">-1376.543</Real>
82 <Real Name="Time 0.008000 Step 8 in frame 8">-1369.016</Real>
83 <Real Name="Time 0.009000 Step 9 in frame 9">-1364.847</Real>
84 <Real Name="Time 0.010000 Step 10 in frame 10">-1364.1179</Real>
85 <Real Name="Time 0.011000 Step 11 in frame 11">-1365.8011</Real>
86 <Real Name="Time 0.012000 Step 12 in frame 12">-1367.9519</Real>
87 <Real Name="Time 0.013000 Step 13 in frame 13">-1368.239</Real>
88 <Real Name="Time 0.014000 Step 14 in frame 14">-1364.84</Real>
89 <Real Name="Time 0.015000 Step 15 in frame 15">-1357.4023</Real>
90 <Real Name="Time 0.016000 Step 16 in frame 16">-1347.5758</Real>
91 <Real Name="Time 0.017000 Step 17 in frame 17">-1338.5415</Real>
92 <Real Name="Time 0.018000 Step 18 in frame 18">-1333.6729</Real>
93 <Real Name="Time 0.019000 Step 19 in frame 19">-1335.085</Real>
94 <Real Name="Time 0.020000 Step 20 in frame 20">-1342.7903</Real>
96 <Energy Name="dVcoul/dl">
97 <Real Name="Time 0.000000 Step 0 in frame 0">127.0049</Real>
98 <Real Name="Time 0.001000 Step 1 in frame 1">126.97887</Real>
99 <Real Name="Time 0.002000 Step 2 in frame 2">126.66846</Real>
100 <Real Name="Time 0.003000 Step 3 in frame 3">126.08806</Real>
101 <Real Name="Time 0.004000 Step 4 in frame 4">125.27914</Real>
102 <Real Name="Time 0.005000 Step 5 in frame 5">124.31335</Real>
103 <Real Name="Time 0.006000 Step 6 in frame 6">123.27105</Real>
104 <Real Name="Time 0.007000 Step 7 in frame 7">122.23379</Real>
105 <Real Name="Time 0.008000 Step 8 in frame 8">121.25505</Real>
106 <Real Name="Time 0.009000 Step 9 in frame 9">120.35613</Real>
107 <Real Name="Time 0.010000 Step 10 in frame 10">119.52326</Real>
108 <Real Name="Time 0.011000 Step 11 in frame 11">118.72171</Real>
109 <Real Name="Time 0.012000 Step 12 in frame 12">117.91666</Real>
110 <Real Name="Time 0.013000 Step 13 in frame 13">117.0883</Real>
111 <Real Name="Time 0.014000 Step 14 in frame 14">116.24145</Real>
112 <Real Name="Time 0.015000 Step 15 in frame 15">115.40311</Real>
113 <Real Name="Time 0.016000 Step 16 in frame 16">114.59235</Real>
114 <Real Name="Time 0.017000 Step 17 in frame 17">113.81493</Real>
115 <Real Name="Time 0.018000 Step 18 in frame 18">113.03636</Real>
116 <Real Name="Time 0.019000 Step 19 in frame 19">112.19577</Real>
117 <Real Name="Time 0.020000 Step 20 in frame 20">111.22552</Real>
119 <Energy Name="dVbonded/dl">
120 <Real Name="Time 0.000000 Step 0 in frame 0">46.032852</Real>
121 <Real Name="Time 0.001000 Step 1 in frame 1">38.456932</Real>
122 <Real Name="Time 0.002000 Step 2 in frame 2">29.185734</Real>
123 <Real Name="Time 0.003000 Step 3 in frame 3">20.182152</Real>
124 <Real Name="Time 0.004000 Step 4 in frame 4">12.519086</Real>
125 <Real Name="Time 0.005000 Step 5 in frame 5">6.1912212</Real>
126 <Real Name="Time 0.006000 Step 6 in frame 6">0.57992887</Real>
127 <Real Name="Time 0.007000 Step 7 in frame 7">-4.9157867</Real>
128 <Real Name="Time 0.008000 Step 8 in frame 8">-10.506035</Real>
129 <Real Name="Time 0.009000 Step 9 in frame 9">-15.954282</Real>
130 <Real Name="Time 0.010000 Step 10 in frame 10">-20.667431</Real>
131 <Real Name="Time 0.011000 Step 11 in frame 11">-23.806871</Real>
132 <Real Name="Time 0.012000 Step 12 in frame 12">-24.416809</Real>
133 <Real Name="Time 0.013000 Step 13 in frame 13">-21.624128</Real>
134 <Real Name="Time 0.014000 Step 14 in frame 14">-15.016253</Real>
135 <Real Name="Time 0.015000 Step 15 in frame 15">-5.1307201</Real>
136 <Real Name="Time 0.016000 Step 16 in frame 16">6.2941051</Real>
137 <Real Name="Time 0.017000 Step 17 in frame 17">16.71825</Real>
138 <Real Name="Time 0.018000 Step 18 in frame 18">23.725412</Real>
139 <Real Name="Time 0.019000 Step 19 in frame 19">25.923847</Real>
140 <Real Name="Time 0.020000 Step 20 in frame 20">23.331295</Real>