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
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#Time MD_Etot MD_EPtot MD_BOND MD_ANGLE MD_DIHED MD_VDW MD_EELEC MD_EGB MD_VDW1-4 MD_EEL1-4 MD_RST MD_EKtot MD_TEMP MD_PRESS
2 -88.9869 -260.5631 30.2604 100.2719 131.8541 -79.8350 -850.9613 -283.7809 40.9369 650.6909 0.0000 171.5762 310.5800 0.0000
3 -80.9793 -254.3684 35.6636 102.6118 123.6321 -71.9564 -850.0041 -274.6240 41.2398 639.0688 0.0000 173.3891 313.8600 0.0000
4 -67.2752 -262.1069 38.5396 92.6127 128.3893 -79.5533 -842.1625 -300.5600 42.8395 657.7879 0.0000 194.8317 352.6800 0.0000
5 -89.5776 -249.1708 49.5508 108.3589 122.9815 -71.8875 -822.7445 -323.3175 41.6255 646.2620 0.0000 159.5932 288.8900 0.0000
6 -67.2116 -255.0724 38.9846 107.6597 125.3545 -81.2345 -875.5932 -274.6058 41.7236 662.6387 0.0000 187.8608 340.0600 0.0000
7 -108.9382 -263.6863 43.8380 98.0032 127.7448 -82.8558 -858.5229 -277.7022 40.4414 645.3672 0.0000 154.7481 280.1200 0.0000
8 -102.2957 -265.2831 40.1545 94.8829 126.4775 -83.7493 -858.2565 -276.3882 43.4330 648.1630 0.0000 162.9874 295.0300 0.0000
9 -99.3741 -259.8130 49.3581 109.2968 121.6121 -82.3322 -875.6211 -263.5656 39.3632 642.0757 0.0000 160.4389 290.4200 0.0000
10 -83.7917 -252.1608 55.9404 97.5173 121.6542 -78.5090 -882.6452 -269.0036 42.6176 660.2676 0.0000 168.3691 304.7700 0.0000
11 -90.6731 -261.1222 40.8216 93.9606 127.7011 -78.0797 -871.8329 -268.7397 41.8634 653.1833 0.0000 170.4491 308.5400 0.0000
12 -115.8913 -268.1654 38.1638 95.5998 125.9497 -78.0638 -878.0981 -268.9823 40.8750 656.3905 0.0000 152.2741 275.6400 0.0000
13 -112.2597 -271.7763 44.9075 98.1778 112.2959 -78.3713 -864.9037 -269.7811 41.4875 644.4110 0.0000 159.5166 288.7500 0.0000
14 -119.8365 -271.3847 38.3079 95.3644 117.9482 -81.8372 -865.3530 -281.7401 41.0426 664.8826 0.0000 151.5481 274.3300 0.0000
15 -100.6242 -259.2725 45.1637 93.4170 118.6862 -82.1371 -855.3579 -279.8814 46.2722 654.5648 0.0000 158.6483 287.1800 0.0000
16 -126.1586 -284.8184 44.9850 86.2323 116.1201 -80.3067 -857.5986 -281.0592 41.0810 645.7279 0.0000 158.6598 287.2000 0.0000
17 -111.3244 -271.4938 46.7768 87.7092 121.8789 -75.9060 -880.4044 -269.9072 41.4571 656.9017 0.0000 160.1694 289.9300 0.0000
18 -89.7801 -265.1124 44.5049 91.5809 120.5976 -74.2889 -852.0943 -292.1417 38.8074 657.9216 0.0000 175.3323 317.3800 0.0000
19 -91.3343 -257.9169 39.5293 106.2868 123.7510 -80.6670 -866.7160 -267.0013 46.1660 640.7342 0.0000 166.5826 301.5400 0.0000
20 -80.5758 -263.0939 45.6919 91.8700 127.0291 -75.7705 -862.6223 -274.6234 40.8845 644.4467 0.0000 182.5181 330.3900 0.0000
21 -100.6640 -267.6617 44.9542 91.1619 122.7701 -74.1749 -868.7465 -274.1408 40.5360 649.9783 0.0000 166.9976 302.2900 0.0000
22 -88.3037 -245.9937 39.6333 101.8058 126.3836 -77.9105 -830.9537 -299.9690 43.2532 651.7635 0.0000 157.6901 285.4400 0.0000
23 -111.8759 -267.7328 35.0788 88.3406 133.2627 -80.5640 -852.3183 -284.5075 39.4656 653.5093 0.0000 155.8569 282.1200 0.0000
24 -114.4053 -272.2998 39.2791 81.3327 121.7973 -72.6115 -853.5709 -285.3156 43.9249 652.8643 0.0000 157.8945 285.8100 0.0000
25 -95.7795 -267.5686 44.5523 89.9096 125.0177 -78.9285 -843.0551 -292.5161 39.4345 648.0170 0.0000 171.7891 310.9600 0.0000
26 -90.8937 -241.0534 51.6559 101.5448 122.1274 -80.2205 -840.8252 -296.5744 43.8653 657.3733 0.0000 150.1597 271.8100 0.0000
27 -70.9778 -252.8954 47.1398 96.1023 126.2013 -74.1706 -851.5282 -279.4175 40.2448 642.5326 0.0000 181.9176 329.3000 0.0000
28 -91.2010 -246.7973 46.6469 91.1836 136.8883 -79.7906 -848.5393 -289.7731 45.0586 651.5283 0.0000 155.5963 281.6500 0.0000
29 -94.2153 -243.8641 58.3137 94.5661 119.7866 -72.8360 -860.7042 -290.0151 44.2152 662.8097 0.0000 149.6487 270.8900 0.0000
30 -81.5815 -256.4977 49.1570 87.3692 129.4732 -76.3588 -864.7340 -279.8773 39.5810 658.8920 0.0000 174.9162 316.6300 0.0000
31 -100.1451 -251.6606 38.4605 101.2048 125.1055 -76.9275 -868.7043 -278.5003 51.4739 656.2268 0.0000 151.5155 274.2700 0.0000
32 -98.4384 -254.9843 46.1310 107.1539 120.8311 -78.5398 -858.0278 -285.4980 43.3491 649.6163 0.0000 156.5459 283.3700 0.0000
33 -80.7006 -246.7462 39.9872 118.6333 122.5691 -75.5038 -885.1434 -279.1886 42.8326 669.0676 0.0000 166.0455 300.5700 0.0000
34 -113.6239 -260.6180 38.8562 93.3419 127.1617 -80.0388 -865.9386 -280.8516 43.6937 663.1576 0.0000 146.9941 266.0800 0.0000
35 -102.4587 -272.4680 45.4217 84.2410 124.3007 -81.9356 -846.8073 -301.8604 40.6837 663.4881 0.0000 170.0094 307.7400 0.0000
36 -106.1278 -274.2789 36.9604 88.4759 128.2693 -83.2762 -892.6505 -273.8680 44.2298 677.5804 0.0000 168.1511 304.3800 0.0000
37 -95.9188 -269.0890 36.2101 97.3380 124.2339 -79.7103 -874.5243 -281.2739 43.0246 665.6129 0.0000 173.1702 313.4600 0.0000
38 -77.8232 -252.0776 43.1352 108.6960 127.8997 -78.8526 -900.3587 -267.6719 43.4397 671.6351 0.0000 174.2544 315.4300 0.0000
39 -106.7096 -275.1865 38.5575 96.0976 120.2609 -79.7315 -875.2458 -278.5281 40.4223 662.9806 0.0000 168.4769 304.9700 0.0000
40 -72.0834 -242.4517 50.4384 98.8627 136.8284 -79.4129 -894.3352 -261.0219 39.4622 666.7266 0.0000 170.3683 308.3900 0.0000
41 -110.1683 -276.6275 39.9374 91.5192 126.4415 -84.7136 -902.5537 -261.6913 42.7616 671.6713 0.0000 166.4592 301.3200 0.0000
42 -78.6813 -263.1815 37.3482 95.1056 124.2011 -74.5596 -878.2911 -279.8102 43.2443 669.5802 0.0000 184.5003 333.9700 0.0000
43 -110.3973 -269.9881 37.0644 93.8465 128.6297 -80.3886 -896.7851 -262.7934 43.3729 667.0655 0.0000 159.5908 288.8800 0.0000
44 -105.5877 -272.7355 36.4739 88.8513 124.1813 -81.2709 -877.8134 -281.3299 40.1016 678.0705 0.0000 167.1478 302.5600 0.0000
45 -89.7593 -246.5764 48.2489 112.4611 126.4472 -77.8080 -879.5342 -274.4721 40.3785 657.7022 0.0000 156.8172 283.8600 0.0000
46 -113.0953 -283.6353 42.2817 84.0025 122.5258 -77.5459 -897.3169 -262.3477 43.4215 661.3437 0.0000 170.5400 308.7000 0.0000
47 -122.6105 -265.1150 40.6229 100.3242 123.2603 -85.0408 -868.8892 -274.2864 41.3051 657.5888 0.0000 142.5045 257.9500 0.0000
48 -97.4605 -273.3509 40.0540 93.5139 124.3017 -80.3093 -845.8743 -303.4570 42.6836 655.7366 0.0000 175.8905 318.3900 0.0000
49 -104.7273 -254.2971 35.8169 109.4232 118.5821 -76.9542 -818.4453 -340.2734 45.8531 671.7004 0.0000 149.5698 270.7400 0.0000
50 -62.5950 -237.6458 45.2333 108.5065 124.5565 -74.5511 -784.9844 -344.9917 40.2951 648.2900 0.0000 175.0508 316.8700 0.0000
51 -92.1319 -258.2705 47.9193 88.7611 122.8409 -68.7998 -832.5216 -330.3137 42.2657 671.5777 0.0000 166.1386 300.7400 0.0000
52 -107.6539 -270.3566 42.6574 88.5072 115.5934 -75.6342 -827.5332 -330.7385 43.0888 673.7025 0.0000 162.7027 294.5200 0.0000
53 -96.9563 -263.9026 38.6525 93.1969 121.1617 -75.4359 -814.4381 -339.7852 41.9715 670.7740 0.0000 166.9463 302.2000 0.0000
54 -107.8717 -270.7006 40.6569 94.1391 121.0191 -77.3391 -830.6223 -319.7933 40.9221 660.3168 0.0000 162.8289 294.7500 0.0000
55 -94.8809 -261.5951 42.5848 104.4644 114.9856 -68.5103 -830.0124 -336.3047 40.3898 670.8077 0.0000 166.7141 301.7800 0.0000
56 -117.0051 -279.5571 41.6421 84.2992 118.4483 -73.3238 -828.9418 -327.8595 38.7495 667.4290 0.0000 162.5520 294.2400 0.0000
57 -95.2236 -266.2208 41.9670 97.8821 124.7060 -74.7657 -816.6668 -331.6536 36.4010 655.9092 0.0000 170.9972 309.5300 0.0000
58 -102.2649 -258.9212 34.5845 96.8372 129.5751 -79.4335 -846.2233 -300.9134 42.3361 664.3161 0.0000 156.6563 283.5700 0.0000
59 -78.8515 -256.3665 48.9346 107.3094 123.6751 -80.3688 -867.6781 -283.4937 37.2473 658.0077 0.0000 177.5150 321.3300 0.0000
60 -92.6572 -266.3337 45.6412 84.6075 126.6985 -76.4335 -863.0984 -292.7813 40.7582 668.2741 0.0000 173.6766 314.3800 0.0000
61 -102.8722 -253.9378 34.1375 97.8170 136.7770 -80.3853 -884.2548 -269.7747 45.0335 666.7120 0.0000 151.0656 273.4500 0.0000
62 -104.1805 -270.2613 37.8848 98.5368 127.9761 -80.6652 -876.2844 -284.0149 37.6899 668.6155 0.0000 166.0808 300.6300 0.0000
63 -90.9888 -260.2710 41.9016 96.7534 130.9616 -73.6910 -882.1360 -276.7890 39.8287 662.8996 0.0000 169.2822 306.4300 0.0000
64 -113.8772 -273.0214 41.5415 93.1203 123.0444 -75.7724 -881.7654 -277.8494 41.0244 663.6351 0.0000 159.1442 288.0800 0.0000
65 -115.7005 -282.7281 37.2434 92.5193 118.3005 -80.4765 -894.3170 -269.4666 42.6640 670.8050 0.0000 167.0276 302.3500 0.0000
66 -102.0097 -264.2574 43.7810 90.6091 128.5222 -76.2627 -866.5479 -286.1361 41.5262 660.2508 0.0000 162.2477 293.6900 0.0000
67 -64.7799 -258.7726 51.8423 89.9773 121.3650 -75.0084 -866.1556 -288.0108 39.5550 667.6626 0.0000 193.9927 351.1600 0.0000
68 -110.1354 -270.3856 43.3307 89.1369 127.0417 -79.1140 -879.2730 -269.1886 45.3155 652.3652 0.0000 160.2501 290.0800 0.0000
69 -106.8481 -265.3952 36.8591 92.9483 129.4216 -77.1642 -905.2336 -260.9264 47.2723 671.4278 0.0000 158.5471 286.9900 0.0000
70 -103.1604 -274.0305 33.5788 91.0825 125.5625 -75.3287 -897.1643 -265.3568 43.6855 669.9099 0.0000 170.8701 309.3000 0.0000
71 -83.8026 -263.4725 49.7739 106.2492 119.7428 -75.6158 -892.1664 -268.5531 40.6274 656.4695 0.0000 179.6698 325.2300 0.0000
72 -120.8968 -270.7396 40.3340 89.9535 130.3547 -75.9749 -872.1342 -282.3812 42.4380 656.6706 0.0000 149.8429 271.2400 0.0000
73 -100.3934 -266.4550 43.9596 96.0535 121.7664 -78.9865 -879.8671 -277.3916 43.7770 664.2336 0.0000 166.0616 300.6000 0.0000
74 -117.0062 -273.5637 41.3906 89.4031 122.9604 -77.4858 -883.1535 -272.6187 44.7198 661.2204 0.0000 156.5576 283.3900 0.0000
75 -86.5683 -269.5299 44.2382 96.4277 127.0926 -83.0366 -861.1277 -286.0305 38.6041 654.3024 0.0000 182.9616 331.1900 0.0000
76 -94.6103 -271.2021 59.5516 82.8333 123.0593 -74.9627 -879.2608 -274.5490 37.8598 654.2664 0.0000 176.5918 319.6600 0.0000
77 -132.4277 -283.1203 34.5164 93.6520 124.6399 -77.2693 -905.3378 -254.2055 40.1614 660.7225 0.0000 150.6926 272.7800 0.0000
78 -111.8938 -273.3812 44.7202 83.1922 122.2033 -74.0283 -888.7874 -264.4873 42.7514 661.0546 0.0000 161.4875 292.3200 0.0000
79 -86.5344 -248.0632 37.6504 107.5804 130.3257 -79.8054 -881.6967 -274.9601 44.9339 667.9086 0.0000 161.5288 292.3900 0.0000
80 -107.1751 -265.5753 43.3850 90.2247 126.8439 -84.4643 -871.0402 -272.0645 39.6191 661.9211 0.0000 158.4002 286.7300 0.0000
81 -97.3936 -264.6442 41.9780 100.6197 122.3101 -72.5212 -873.7333 -276.1066 40.6778 652.1313 0.0000 167.2506 302.7500 0.0000
82 -97.7386 -258.6769 43.1157 95.7389 121.5376 -70.1373 -882.7748 -276.4807 38.4490 671.8746 0.0000 160.9383 291.3200 0.0000
83 -125.3766 -296.3337 34.7027 75.3902 127.7820 -78.5958 -882.9482 -271.1671 41.8941 656.6084 0.0000 170.9571 309.4600 0.0000
84 -79.3463 -257.8732 37.8746 106.4642 122.6795 -77.7174 -900.2319 -261.7303 45.1389 669.6491 0.0000 178.5270 323.1600 0.0000
85 -116.1346 -276.2502 43.3430 87.2567 123.4358 -78.8905 -893.4880 -269.4905 43.1001 668.4833 0.0000 160.1156 289.8300 0.0000
86 -104.8382 -266.4045 40.3420 102.7044 125.0320 -78.4117 -878.9403 -259.7239 42.7974 639.7955 0.0000 161.5663 292.4600 0.0000
87 -104.8552 -263.2348 48.9472 92.4451 123.8160 -74.5685 -892.4584 -273.4483 40.2436 671.7885 0.0000 158.3796 286.6900 0.0000
88 -98.3309 -272.9341 43.5545 88.2876 121.5351 -76.3088 -895.4417 -261.4924 41.4543 665.4773 0.0000 174.6032 316.0600 0.0000
89 -129.1107 -280.0877 39.0359 83.2904 122.2085 -74.6347 -899.3416 -269.8316 43.8858 675.2996 0.0000 150.9770 273.2900 0.0000
90 -116.2545 -270.9029 48.4932 89.7394 126.0138 -76.3410 -900.6777 -253.8275 41.9117 653.7850 0.0000 154.6484 279.9400 0.0000
91 -100.5721 -277.0924 43.6532 92.8517 121.5239 -80.3245 -894.2935 -261.5850 40.1095 660.9723 0.0000 176.5203 319.5300 0.0000
92 -108.1563 -271.3357 39.5296 89.4950 122.1247 -75.6354 -882.4158 -270.2721 44.6788 661.1593 0.0000 163.1794 295.3800 0.0000
93 -103.3645 -262.8547 43.6523 100.3690 121.3503 -78.1492 -874.4258 -272.4140 42.6280 654.1347 0.0000 159.4902 288.7000 0.0000
94 -121.9050 -274.5456 41.1634 96.4380 121.3419 -77.3740 -877.7515 -275.1586 41.0462 655.7489 0.0000 152.6406 276.3000 0.0000
95 -99.4562 -264.2347 45.0342 92.9302 127.0586 -81.2552 -889.0766 -273.0087 47.9501 666.1327 0.0000 164.7784 298.2700 0.0000
96 -126.6002 -286.7816 42.1623 82.3395 124.7156 -84.5790 -895.8409 -270.6709 39.2668 675.8251 0.0000 160.1813 289.9500 0.0000
97 -119.1039 -269.9704 51.8413 84.3848 119.4450 -79.4355 -880.7521 -267.0267 42.3727 659.2002 0.0000 150.8666 273.0900 0.0000
98 -103.3382 -271.8849 45.7107 93.3477 122.6463 -76.9804 -901.6640 -266.6217 37.1300 674.5464 0.0000 168.5467 305.1000 0.0000
99 -111.7212 -277.7721 45.0960 84.5985 129.8014 -78.1935 -874.0226 -276.6897 36.5657 655.0722 0.0000 166.0510 300.5800 0.0000
100 -73.5919 -245.7386 53.5995 102.6657 124.6469 -72.5031 -896.4172 -269.3351 44.4205 667.1841 0.0000 172.1467 311.6100 0.0000
101 -99.8433 -266.5067 41.4036 93.4551 125.6152 -74.4789 -895.0723 -268.7938 40.8576 670.5068 0.0000 166.6634 301.6900 0.0000
102 -87.9174 -262.1926 49.3914 81.8769 126.4765 -69.5561 -890.5849 -263.5084 41.9313 661.7806 0.0000 174.2752 315.4600 0.0000
103 -93.6180 -261.3112 49.7436 89.4857 129.5818 -82.7676 -887.7878 -268.4804 43.4483 665.4652 0.0000 167.6933 303.5500 0.0000
104 -111.0484 -273.8954 44.4203 102.4718 112.8073 -77.2386 -883.8370 -271.9314 41.7917 657.6204 0.0000 162.8470 294.7800 0.0000
105 -97.9100 -263.7480 46.8203 90.2603 125.0602 -76.5154 -878.7217 -278.3187 40.8946 666.7723 0.0000 165.8380 300.1900 0.0000
106 -94.7556 -266.1514 35.0722 100.6124 125.0314 -76.7348 -888.0836 -274.7568 42.8872 669.8206 0.0000 171.3959 310.2500 0.0000
107 -95.2386 -271.5046 31.9295 103.4346 117.0954 -73.7668 -899.0308 -265.4928 44.5630 669.7632 0.0000 176.2659 319.0700 0.0000
108 -118.6459 -272.3405 36.1292 95.6368 127.6980 -75.3507 -880.0704 -275.9108 40.5023 659.0251 0.0000 153.6946 278.2100 0.0000
109 -106.6995 -262.8421 36.8434 101.5239 124.5558 -78.6956 -888.3365 -259.1345 42.2650 658.1364 0.0000 156.1427 282.6400 0.0000
110 -103.4987 -253.2311 51.8479 97.8648 122.8581 -70.9563 -886.7502 -271.5073 40.1770 663.2348 0.0000 149.7324 271.0400 0.0000
111 -114.4775 -281.2247 38.1044 90.4508 122.3703 -72.4891 -888.8252 -273.2465 43.6916 658.7189 0.0000 166.7472 301.8400 0.0000
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