File: MD.ene.dat.save

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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