# This file was created Sun Apr 13 21:18:45 2025 # Created by: # :-) GROMACS - gmx energy, 2025.1 (-: # # Executable: /home/simon/Softwares/gromacs-2025.1/build/bin/gmx # Data prefix: /home/simon/Softwares/gromacs-2025.1 (source tree) # Working dir: /home/simon/Git/GROMACS/inputs/tutorial1 # Command line: # gmx energy -f npt.edr -o npt-T.xvg # gmx energy is part of G R O M A C S: # # GROtesk MACabre and Sinister # @ 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 357.269806 0.100000 353.883392 0.200000 366.482483 0.300000 355.931122 0.400000 358.448669 0.500000 364.715881 0.600000 362.020660 0.700000 362.529633 0.800000 365.479492 0.900000 357.746460 1.000000 362.986145 1.100000 366.279694 1.200000 363.584595 1.300000 352.683014 1.400000 350.329498 1.500000 349.496613 1.600000 366.049774 1.700000 364.557800 1.800000 365.185089 1.900000 365.863922 2.000000 363.710663 2.100000 358.367218 2.200000 362.402344 2.300000 361.458344 2.400000 366.585968 2.500000 364.333008 2.600000 370.153107 2.700000 360.333618 2.800000 367.875153 2.900000 364.702972 3.000000 351.268066 3.100000 370.630219 3.200000 352.451660 3.300000 370.701599 3.400000 370.541931 3.500000 352.626038 3.600000 352.277740 3.700000 351.082184 3.800000 357.520996 3.900000 358.854004 4.000000 361.269257 4.100000 355.379639 4.200000 359.671387 4.300000 360.019257 4.400000 365.181244 4.500000 351.541351 4.600000 363.937012 4.700000 359.996155 4.800000 356.987701 4.900000 361.353546 5.000000 348.020447 5.100000 351.232910 5.200000 359.468628 5.300000 353.784241 5.400000 357.376221 5.500000 367.232605 5.600000 363.113098 5.700000 344.522888 5.800000 354.172302 5.900000 357.572357 6.000000 355.342651 6.100000 354.733002 6.200000 361.235718 6.300000 359.200653 6.400000 350.382202 6.500000 343.504791 6.600000 347.120911 6.700000 358.042694 6.800000 354.980255 6.900000 357.548401 7.000000 348.021179 7.100000 357.530090 7.200000 348.945526 7.300000 343.643677 7.400000 348.903564 7.500000 348.522766 7.600000 351.823364 7.700000 349.588440 7.800000 362.462494 7.900000 364.981140 8.000000 354.105713 8.100000 354.690460 8.200000 348.224548 8.300000 354.644165 8.400000 354.902893 8.500000 370.750641 8.600000 358.251038 8.700000 353.425934 8.800000 363.260284 8.900000 364.068695 9.000000 364.921783 9.100000 352.152588 9.200000 368.356171 9.300000 353.178802 9.400000 353.134003 9.500000 359.116608 9.600000 357.448059 9.700000 358.395020 9.800000 359.797577 9.900000 356.878235 10.000000 361.686981 10.100000 357.954468 10.200000 362.920044 10.300000 356.279633 10.400000 364.594513 10.500000 360.386169 10.600000 352.135773 10.700000 381.332550 10.800000 365.900177 10.900000 368.676300 11.000000 374.179535 11.100000 369.959442 11.200000 363.526611 11.300000 360.341827 11.400000 366.093658 11.500000 366.511108 11.600000 365.823792 11.700000 365.876923 11.800000 366.140991 11.900000 361.982086 12.000000 372.571686 12.100000 349.853302 12.200000 378.608917 12.300000 374.908264 12.400000 364.394684 12.500000 361.880554 12.600000 366.316681 12.700000 355.521454 12.800000 374.577759 12.900000 365.758026 13.000000 361.948486 13.100000 358.148041 13.200000 371.211670 13.300000 352.309967 13.400000 354.312836 13.500000 374.429932 13.600000 369.247955 13.700000 371.865753 13.800000 371.918915 13.900000 373.961426 14.000000 367.264038 14.100000 369.227142 14.200000 356.214294 14.300000 366.166840 14.400000 360.192139 14.500000 370.138916 14.600000 368.285248 14.700000 363.111450 14.800000 346.929260 14.900000 363.920410 15.000000 370.471191 15.100000 359.772461 15.200000 356.909943 15.300000 356.382477 15.400000 377.191193 15.500000 355.149780 15.600000 358.658691 15.700000 355.091705 15.800000 355.292053 15.900000 355.168152 16.000000 360.092896 16.100000 356.355865 16.200000 361.923767 16.300000 349.366882 16.400000 353.999939 16.500000 344.966309 16.600000 349.884827 16.700000 355.923431 16.800000 353.612549 16.900000 365.197174 17.000000 354.568146 17.100000 355.124451 17.200000 363.902649 17.300000 357.552185 17.400000 349.553040 17.500000 361.193176 17.600000 340.398438 17.700000 364.746368 17.800000 359.799072 17.900000 362.962982 18.000000 361.710602 18.100000 355.615265 18.200000 358.941589 18.300000 365.221527 18.400000 354.282440 18.500000 377.285645 18.600000 367.503632 18.700000 364.232941 18.800000 378.352844 18.900000 366.887024 19.000000 360.826538 19.100000 361.814697 19.200000 377.011108 19.300000 362.481262 19.400000 355.267365 19.500000 359.072632 19.600000 365.665100 19.700000 368.661041 19.800000 365.566589 19.900000 354.124176 20.000000 353.953125 20.100000 359.045288 20.200000 351.479614 20.300000 365.057098 20.400000 357.083557 20.500000 357.264771 20.600000 353.366058 20.700000 359.469360 20.800000 338.615387 20.900000 364.673248 21.000000 346.610931 21.100000 358.430084 21.200000 352.049805 21.300000 351.204346 21.400000 356.413269 21.500000 361.272156 21.600000 358.915253 21.700000 361.051300 21.800000 353.905884 21.900000 360.837952 22.000000 350.318787 22.100000 343.067566 22.200000 352.732849 22.300000 354.247375 22.400000 356.094604 22.500000 357.326477 22.600000 356.521423 22.700000 345.892120 22.800000 340.010773 22.900000 350.848297 23.000000 363.496277 23.100000 353.788544 23.200000 357.301208 23.300000 346.998047 23.400000 362.842377 23.500000 363.359436 23.600000 359.698700 23.700000 361.561798 23.800000 368.776062 23.900000 369.086792 24.000000 354.998413 24.100000 355.891479 24.200000 352.413025 24.300000 359.112335 24.400000 344.469604 24.500000 364.771973 24.600000 366.259613 24.700000 350.096985 24.800000 361.889862 24.900000 350.385620 25.000000 359.610291 25.100000 360.021393 25.200000 361.522003 25.300000 370.654999 25.400000 361.048004 25.500000 371.648926 25.600000 360.049225 25.700000 358.331848 25.800000 355.412842 25.900000 370.449280 26.000000 365.564545 26.100000 343.320770 26.200000 360.386475 26.300000 373.531525 26.400000 372.111481 26.500000 366.243774 26.600000 363.080505 26.700000 369.536194 26.800000 371.016083 26.900000 367.765106 27.000000 367.574860 27.100000 367.132599 27.200000 374.132507 27.300000 363.239807 27.400000 359.010803 27.500000 360.612427 27.600000 356.827606 27.700000 354.605011 27.800000 361.940247 27.900000 364.921600 28.000000 363.041107 28.100000 369.239197 28.200000 374.774475 28.300000 368.011627 28.400000 365.504028 28.500000 358.666656 28.600000 362.169800 28.700000 370.463318 28.800000 375.772430 28.900000 359.958069 29.000000 366.517334 29.100000 365.241943 29.200000 366.765167 29.300000 362.242493 29.400000 371.265167 29.500000 373.501709 29.600000 364.677124 29.700000 370.739716 29.800000 362.215729 29.900000 369.551208 30.000000 352.904999 30.100000 359.814484 30.200000 360.487091 30.300000 363.750275 30.400000 354.010040 30.500000 350.527832 30.600000 353.750763 30.700000 357.987366 30.800000 344.495941 30.900000 365.670227 31.000000 348.716705 31.100000 356.550354 31.200000 361.066376 31.300000 358.323334 31.400000 348.905762 31.500000 359.601410 31.600000 352.911560 31.700000 345.601898 31.800000 353.874939 31.900000 358.149170 32.000000 351.630768 32.100000 346.586609 32.200000 350.295563 32.300000 347.671478 32.400000 357.909271 32.500000 358.100891 32.600000 355.685242 32.700000 353.589050 32.800000 353.918457 32.900000 349.038025 33.000000 360.753326 33.100000 347.800079 33.200000 361.481323 33.300000 358.073364 33.400000 357.823792 33.500000 350.510040 33.600000 366.754822 33.700000 353.594818 33.800000 360.811707 33.900000 355.820496 34.000000 367.749603 34.100000 362.135620 34.200000 354.838562 34.300000 347.411621 34.400000 352.802094 34.500000 349.634033 34.600000 356.176422 34.700000 364.143250 34.800000 354.829620 34.900000 357.925110 35.000000 372.852509 35.100000 359.582672 35.200000 369.934784 35.300000 358.095490 35.400000 363.989716 35.500000 356.647400 35.600000 354.284607 35.700000 361.545471 35.800000 364.489288 35.900000 370.008179 36.000000 374.042816 36.100000 360.099640 36.200000 360.569672 36.300000 358.713013 36.400000 357.937653 36.500000 370.927429 36.600000 361.154388 36.700000 368.713165 36.800000 369.561798 36.900000 372.318695 37.000000 373.826416 37.100000 352.529205 37.200000 366.579437 37.300000 355.725861 37.400000 354.953339 37.500000 364.775757 37.600000 357.914062 37.700000 354.921692 37.800000 359.652405 37.900000 361.295654 38.000000 366.586517 38.100000 369.116547 38.200000 372.636627 38.300000 359.235809 38.400000 358.501801 38.500000 361.174835 38.600000 355.804474 38.700000 368.109192 38.800000 350.255768 38.900000 362.485138 39.000000 381.079315 39.100000 367.266235 39.200000 365.995239 39.300000 367.488708 39.400000 379.036102 39.500000 370.556885 39.600000 362.445648 39.700000 367.163361 39.800000 358.292511 39.900000 370.399567 40.000000 358.278137 40.100000 370.269348 40.200000 361.996002 40.300000 367.229309 40.400000 362.501312 40.500000 366.899048 40.600000 372.788330 40.700000 374.826599 40.800000 370.998871 40.900000 364.100891 41.000000 369.960144 41.100000 368.635040 41.200000 353.768250 41.300000 365.115479 41.400000 364.824005 41.500000 368.462280 41.600000 362.104675 41.700000 364.488739 41.800000 363.864441 41.900000 371.604065 42.000000 370.981903 42.100000 367.737579 42.200000 357.425659 42.300000 374.137634 42.400000 367.183075 42.500000 370.486816 42.600000 368.421997 42.700000 363.182068 42.800000 364.150665 42.900000 368.151062 43.000000 366.179871 43.100000 353.670868 43.200000 364.591370 43.300000 366.888550 43.400000 357.459503 43.500000 361.028351 43.600000 365.327454 43.700000 358.772919 43.800000 357.313293 43.900000 355.528381 44.000000 357.756989 44.100000 361.799591 44.200000 358.733215 44.300000 360.033905 44.400000 373.044769 44.500000 374.288452 44.600000 363.004852 44.700000 373.482147 44.800000 364.782410 44.900000 361.924011 45.000000 366.968353 45.100000 363.643524 45.200000 366.269897 45.300000 349.499603 45.400000 364.674988 45.500000 358.866211 45.600000 365.008087 45.700000 352.074219 45.800000 364.960327 45.900000 351.066956 46.000000 362.029999 46.100000 352.824280 46.200000 346.526825 46.300000 358.574005 46.400000 361.731812 46.500000 356.856720 46.600000 364.255219 46.700000 361.760193 46.800000 364.566437 46.900000 364.450653 47.000000 369.697723 47.100000 364.264832 47.200000 355.705750 47.300000 371.471802 47.400000 371.334137 47.500000 347.893250 47.600000 360.894867 47.700000 357.529480 47.800000 367.021851 47.900000 357.541443 48.000000 363.989502 48.100000 364.050659 48.200000 356.585327 48.300000 357.503113 48.400000 357.586670 48.500000 350.347687 48.600000 358.560089 48.700000 367.254578 48.800000 372.168701 48.900000 373.359039 49.000000 357.764465 49.100000 357.762909 49.200000 368.971649 49.300000 366.029053 49.400000 364.697296 49.500000 361.983521 49.600000 364.187347 49.700000 357.216248 49.800000 359.728394 49.900000 370.512939 50.000000 366.567474 50.100000 364.891541 50.200000 358.581512 50.300000 369.456421 50.400000 355.337646 50.500000 356.488770 50.600000 365.022797 50.700000 362.703735 50.800000 366.109955 50.900000 358.063873 51.000000 354.859070 51.100000 355.064758 51.200000 367.511780 51.300000 362.898407 51.400000 374.883240 51.500000 356.465454 51.600000 366.031250 51.700000 346.998230 51.800000 349.925110 51.900000 367.617401 52.000000 353.833008 52.100000 354.096497 52.200000 345.663269 52.300000 346.117615 52.400000 357.818848 52.500000 356.303040 52.600000 364.712952 52.700000 358.555328 52.800000 351.596649 52.900000 347.677216 53.000000 363.887756 53.100000 358.323700 53.200000 357.298737 53.300000 357.075043 53.400000 362.053375 53.500000 351.780304 53.600000 359.296173 53.700000 359.362823 53.800000 362.780457 53.900000 368.668579 54.000000 365.533630 54.100000 377.439301 54.200000 368.496857 54.300000 365.775146 54.400000 358.068787 54.500000 363.951416 54.600000 353.688110 54.700000 352.715332 54.800000 355.375977 54.900000 360.019928 55.000000 357.688354 55.100000 349.173065 55.200000 370.608490 55.300000 367.487213 55.400000 353.424927 55.500000 359.145355 55.600000 358.075775 55.700000 354.073029 55.800000 367.608459 55.900000 356.115570 56.000000 355.074707 56.100000 360.745270 56.200000 360.827942 56.300000 372.067474 56.400000 363.286407 56.500000 363.959869 56.600000 365.719208 56.700000 365.656738 56.800000 366.674469 56.900000 367.819855 57.000000 361.597900 57.100000 366.211090 57.200000 372.040588 57.300000 363.732758 57.400000 352.322327 57.500000 363.468018 57.600000 370.553040 57.700000 375.754669 57.800000 359.935333 57.900000 379.208221 58.000000 375.600403 58.100000 362.806976 58.200000 376.945679 58.300000 373.464844 58.400000 354.224030 58.500000 363.920410 58.600000 353.641388 58.700000 367.231140 58.800000 365.126617 58.900000 366.123474 59.000000 351.408020 59.100000 363.833069 59.200000 368.773590 59.300000 357.373047 59.400000 362.015808 59.500000 368.921814 59.600000 372.119812 59.700000 360.322418 59.800000 366.729980 59.900000 362.965332 60.000000 359.871429 60.100000 355.771759 60.200000 363.662231 60.300000 360.881134 60.400000 367.245789 60.500000 357.995972 60.600000 358.870697 60.700000 359.652557 60.800000 360.495514 60.900000 352.316284 61.000000 352.560760 61.100000 350.204285 61.200000 362.155212 61.300000 354.708252 61.400000 362.907867 61.500000 348.070496 61.600000 347.954590 61.700000 353.042480 61.800000 365.568268 61.900000 364.085876 62.000000 365.451263 62.100000 357.729218 62.200000 353.235046 62.300000 340.968994 62.400000 361.606812 62.500000 356.383423 62.600000 374.542786 62.700000 368.745331 62.800000 355.059418 62.900000 339.540894 63.000000 355.466400 63.100000 370.869385 63.200000 349.999939 63.300000 351.796783 63.400000 358.103882 63.500000 352.151672 63.600000 346.495026 63.700000 358.692108 63.800000 355.254028 63.900000 340.247803 64.000000 348.630646 64.100000 358.664520 64.200000 359.988556 64.300000 347.502777 64.400000 348.950867 64.500000 352.196259 64.600000 349.466125 64.700000 350.051086 64.800000 353.131805 64.900000 360.737091 65.000000 342.402649 65.100000 356.519104 65.200000 366.148926 65.300000 348.655029 65.400000 355.120789 65.500000 354.163513 65.600000 346.237244 65.700000 365.440674 65.800000 357.251587 65.900000 364.272644 66.000000 356.815125 66.100000 359.061584 66.200000 361.026978 66.300000 352.258026 66.400000 349.852264 66.500000 355.186279 66.600000 344.313904 66.700000 356.600952 66.800000 359.575531 66.900000 355.401215 67.000000 351.907166 67.100000 358.884888 67.200000 363.351288 67.300000 362.751190 67.400000 361.213806 67.500000 346.289062 67.600000 355.172760 67.700000 353.502350 67.800000 361.322723 67.900000 353.982178 68.000000 346.223480 68.100000 349.866150 68.200000 348.327301 68.300000 362.122498 68.400000 354.676361 68.500000 366.928833 68.600000 359.297943 68.700000 364.202911 68.800000 356.274231 68.900000 365.176727 69.000000 355.749939 69.100000 355.680145 69.200000 363.830719 69.300000 354.654144 69.400000 356.074371 69.500000 356.524109 69.600000 359.754517 69.700000 364.608002 69.800000 356.762115 69.900000 355.413818 70.000000 353.509094 70.100000 361.491425 70.200000 348.155304 70.300000 348.176361 70.400000 350.198547 70.500000 352.977356 70.600000 353.227264 70.700000 361.978577 70.800000 353.095184 70.900000 354.759674 71.000000 347.347687 71.100000 344.087769 71.200000 365.426147 71.300000 365.815521 71.400000 356.412384 71.500000 369.102478 71.600000 361.989624 71.700000 357.667938 71.800000 354.537323 71.900000 353.326508 72.000000 349.168396 72.100000 357.007446 72.200000 360.960602 72.300000 348.252808 72.400000 360.314026 72.500000 359.127289 72.600000 358.252808 72.700000 361.964630 72.800000 358.628357 72.900000 350.961426 73.000000 348.251495 73.100000 362.647552 73.200000 357.294891 73.300000 361.373047 73.400000 355.518280 73.500000 365.874634 73.600000 362.067322 73.700000 367.327484 73.800000 366.706207 73.900000 358.031616 74.000000 363.653717 74.100000 365.223785 74.200000 354.150543 74.300000 346.225189 74.400000 362.551056 74.500000 362.438568 74.600000 360.636353 74.700000 358.382324 74.800000 363.959473 74.900000 356.376526 75.000000 364.666840 75.100000 356.293304 75.200000 355.702118 75.300000 359.484283 75.400000 344.477753 75.500000 354.310242 75.600000 345.582184 75.700000 349.118286 75.800000 354.886200 75.900000 346.867676 76.000000 349.006439 76.100000 342.678497 76.200000 348.667480 76.300000 362.135223 76.400000 351.306244 76.500000 363.224854 76.600000 361.405212 76.700000 353.817505 76.800000 362.452942 76.900000 363.156677 77.000000 352.731812 77.100000 353.764587 77.200000 364.206512 77.300000 364.657104 77.400000 357.115173 77.500000 359.910522 77.600000 359.597565 77.700000 367.479828 77.800000 366.132965 77.900000 364.896088 78.000000 355.960114 78.100000 361.609894 78.200000 358.785950 78.300000 361.243622 78.400000 363.781067 78.500000 367.646698 78.600000 357.166290 78.700000 355.085358 78.800000 369.805115 78.900000 363.500000 79.000000 369.624878 79.100000 360.049042 79.200000 360.291077 79.300000 356.544525 79.400000 366.436035 79.500000 350.350952 79.600000 360.696350 79.700000 359.399872 79.800000 358.396393 79.900000 370.871155 80.000000 365.314301