# This file was created Wed May 13 12:00:14 2026 # Created by: # :-) GROMACS - gmx energy, 2021.4-Ubuntu-2021.4-2 (-: # # Executable: /usr/bin/gmx # Data prefix: /usr # Working dir: /media/D/Kutatás/Smart University/Gromacs/equil_2/equil_2_GOOD # Command line: # gmx energy -f npt.edr -o pressure.xvg # gmx energy is part of G R O M A C S: # # Great Red Owns Many ACres of Sand # @ title "GROMACS Energies" @ xaxis label "Time (ps)" @ yaxis label "(bar)" @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 "Pressure" 0.000000 -102.225182 1.000000 -218.920334 2.000000 -365.007599 3.000000 -150.924088 4.000000 -139.729980 5.000000 -5.955585 6.000000 -116.785339 7.000000 59.232037 8.000000 12.316856 9.000000 5.523092 10.000000 116.182076 11.000000 -197.528061 12.000000 129.475723 13.000000 188.389175 14.000000 12.268003 15.000000 21.479202 16.000000 -11.906817 17.000000 32.194122 18.000000 30.532959 19.000000 127.490959 20.000000 -89.753563 21.000000 105.398415 22.000000 151.214172 23.000000 171.703125 24.000000 -238.668839 25.000000 110.144531 26.000000 -394.705109 27.000000 -0.408267 28.000000 50.088440 29.000000 67.294914 30.000000 -34.203121 31.000000 144.257706 32.000000 44.550873 33.000000 22.590349 34.000000 176.748047 35.000000 42.879833 36.000000 34.308083 37.000000 278.175262 38.000000 34.638233 39.000000 109.565460 40.000000 45.635090 41.000000 -13.828115 42.000000 145.006668 43.000000 -135.283615 44.000000 -4.964621 45.000000 -64.289764 46.000000 103.824394 47.000000 121.249092 48.000000 122.920662 49.000000 119.452759 50.000000 57.470928 51.000000 -150.416290 52.000000 -3.581604 53.000000 -254.761536 54.000000 76.869987 55.000000 15.590012 56.000000 38.136585 57.000000 143.336060 58.000000 -34.235233 59.000000 -21.714380 60.000000 55.198071 61.000000 125.833771 62.000000 -124.257698 63.000000 -181.179260 64.000000 -51.931355 65.000000 43.677429 66.000000 172.438782 67.000000 103.243492 68.000000 -234.630447 69.000000 48.509491 70.000000 -25.714453 71.000000 58.784565 72.000000 -154.390198 73.000000 92.026421 74.000000 -23.044769 75.000000 -28.029442 76.000000 103.857971 77.000000 -83.553726 78.000000 -79.854942 79.000000 -44.622021 80.000000 164.385956 81.000000 -94.474327 82.000000 362.230957 83.000000 242.628052 84.000000 -196.351868 85.000000 -20.417269 86.000000 86.108734 87.000000 19.632895 88.000000 5.524496 89.000000 218.508469 90.000000 46.828644 91.000000 -202.186813 92.000000 -113.995079 93.000000 -29.793318 94.000000 3.050687 95.000000 1.965398 96.000000 -92.709534 97.000000 167.199966 98.000000 286.886353 99.000000 92.488899 100.000000 -59.342281 101.000000 -94.808235 102.000000 216.246399 103.000000 -96.802345 104.000000 -178.134460 105.000000 -81.124413 106.000000 23.434610 107.000000 -107.250999 108.000000 -137.361130 109.000000 187.624649 110.000000 352.178802 111.000000 68.423225 112.000000 -114.292137 113.000000 58.994007 114.000000 -139.318665 115.000000 -49.688736 116.000000 22.949869 117.000000 71.864586 118.000000 -111.900414 119.000000 54.407543 120.000000 140.960068 121.000000 -237.717178 122.000000 -14.551236 123.000000 -56.169479 124.000000 118.420677 125.000000 -191.374771 126.000000 -76.774231 127.000000 -128.549942 128.000000 -42.713898 129.000000 -181.978104 130.000000 142.609467 131.000000 85.582405 132.000000 -6.753113 133.000000 -54.603180 134.000000 -376.600983 135.000000 153.359924 136.000000 -7.069784 137.000000 73.455009 138.000000 5.216794 139.000000 56.231922 140.000000 150.580856 141.000000 115.628960 142.000000 -97.384529 143.000000 33.926170 144.000000 188.281418 145.000000 10.263916 146.000000 28.044785 147.000000 -112.077675 148.000000 108.178162 149.000000 65.691933 150.000000 -28.227865 151.000000 88.223259 152.000000 -88.903450 153.000000 15.461716 154.000000 192.753418 155.000000 65.970032 156.000000 -115.912476 157.000000 29.016230 158.000000 27.462576 159.000000 -60.141949 160.000000 42.750469 161.000000 85.256378 162.000000 -180.737595 163.000000 -318.153076 164.000000 9.544296 165.000000 -99.670372 166.000000 4.727621 167.000000 -51.506618 168.000000 205.643753 169.000000 -14.518273 170.000000 39.372196 171.000000 -43.609650 172.000000 -202.536621 173.000000 -98.966255 174.000000 -16.743912 175.000000 -28.693520 176.000000 165.782394 177.000000 135.248840 178.000000 -133.744888 179.000000 -37.371155 180.000000 77.453629 181.000000 62.345562 182.000000 99.505165 183.000000 -125.132103 184.000000 -29.368591 185.000000 34.566570 186.000000 90.851074 187.000000 -82.875496 188.000000 42.082649 189.000000 58.045666 190.000000 158.971115 191.000000 17.424803 192.000000 -143.919144 193.000000 -156.705856 194.000000 -142.256149 195.000000 -282.442596 196.000000 -125.132591 197.000000 -15.682820 198.000000 -43.064541 199.000000 -57.944530 200.000000 -149.715271 201.000000 89.194908 202.000000 251.534790 203.000000 -181.383652 204.000000 -29.836365 205.000000 139.076614 206.000000 -183.724777 207.000000 26.033171 208.000000 -62.243076 209.000000 -78.016182 210.000000 89.080162 211.000000 6.886887 212.000000 20.683243 213.000000 -96.683960 214.000000 -42.788197 215.000000 -38.110500 216.000000 -155.784073 217.000000 -151.228409 218.000000 -191.245163 219.000000 189.651779 220.000000 31.251785 221.000000 112.620605 222.000000 -34.746719 223.000000 200.021561 224.000000 82.401215 225.000000 -74.535835 226.000000 -58.993328 227.000000 -68.142662 228.000000 -24.137869 229.000000 51.819218 230.000000 -9.286667 231.000000 31.782745 232.000000 -6.701107 233.000000 -255.892639 234.000000 134.421936 235.000000 128.247269 236.000000 -69.197182 237.000000 155.468277 238.000000 104.745171 239.000000 92.553612 240.000000 -223.289062 241.000000 -39.868572 242.000000 3.009221 243.000000 -33.909809 244.000000 -11.048085 245.000000 269.080902 246.000000 184.479782 247.000000 143.623459 248.000000 98.332611 249.000000 -99.049263 250.000000 -16.105341 251.000000 -79.715553 252.000000 33.995132 253.000000 -0.525467 254.000000 -68.176285 255.000000 -196.866837 256.000000 2.796921 257.000000 98.851311 258.000000 -93.407135 259.000000 -193.537888 260.000000 -104.079948 261.000000 -35.586742 262.000000 55.390270 263.000000 6.842016 264.000000 40.167942 265.000000 -252.361206 266.000000 -114.052368 267.000000 -17.394119 268.000000 -271.773468 269.000000 69.620308 270.000000 -44.145123 271.000000 6.730947 272.000000 -38.534401 273.000000 -209.052612 274.000000 -206.839432 275.000000 12.518100 276.000000 -7.027832 277.000000 -17.017488 278.000000 -97.287598 279.000000 -87.099579 280.000000 -40.662495 281.000000 132.466751 282.000000 138.629105 283.000000 69.563271 284.000000 -0.766972 285.000000 -4.584923 286.000000 -74.250511 287.000000 78.126450 288.000000 -173.829834 289.000000 -10.891190 290.000000 32.547726 291.000000 79.618935 292.000000 179.426895 293.000000 -30.576868 294.000000 -97.944771 295.000000 102.982292 296.000000 -213.291122 297.000000 -201.744141 298.000000 -125.906090 299.000000 -219.296707 300.000000 82.174393 301.000000 120.499245 302.000000 -206.762283 303.000000 -57.752033 304.000000 231.910965 305.000000 41.643185 306.000000 -145.198471 307.000000 293.495728 308.000000 160.879684 309.000000 -235.488159 310.000000 -80.256760 311.000000 -123.749176 312.000000 96.411407 313.000000 -42.059841 314.000000 77.333694 315.000000 37.105434 316.000000 -50.825443 317.000000 -41.078400 318.000000 28.142160 319.000000 107.849388 320.000000 -194.461243 321.000000 131.385941 322.000000 114.346962 323.000000 -84.010399 324.000000 -68.200127 325.000000 2.992152 326.000000 -56.158920 327.000000 -172.707230 328.000000 -25.353113 329.000000 199.886703 330.000000 -166.379684 331.000000 -45.722076 332.000000 87.251762 333.000000 -10.941559 334.000000 132.193710 335.000000 76.699776 336.000000 -5.805624 337.000000 71.731331 338.000000 52.984104 339.000000 -25.977097 340.000000 -110.584953 341.000000 68.116814 342.000000 56.145176 343.000000 -3.862854 344.000000 113.088097 345.000000 -33.944820 346.000000 -107.221069 347.000000 86.232239 348.000000 115.501152 349.000000 -294.978973 350.000000 5.352338 351.000000 84.970787 352.000000 23.262884 353.000000 -158.400162 354.000000 -220.203934 355.000000 -251.563644 356.000000 49.980591 357.000000 75.401733 358.000000 98.580452 359.000000 -80.772713 360.000000 -3.278834 361.000000 15.098422 362.000000 263.860016 363.000000 -35.662075 364.000000 142.487976 365.000000 -67.088821 366.000000 120.311745 367.000000 -85.251511 368.000000 -56.478420 369.000000 -239.424179 370.000000 -108.780296 371.000000 0.433395 372.000000 4.632133 373.000000 32.792431 374.000000 145.598083 375.000000 -294.220428 376.000000 46.604710 377.000000 58.201599 378.000000 -107.538216 379.000000 -86.994568 380.000000 -18.057768 381.000000 103.534599 382.000000 65.769989 383.000000 -28.208189 384.000000 -16.582624 385.000000 -199.279556 386.000000 -140.908554 387.000000 -6.708391 388.000000 152.328812 389.000000 126.959991 390.000000 90.406837 391.000000 -220.168457 392.000000 6.036120 393.000000 -87.269531 394.000000 148.851852 395.000000 11.002518 396.000000 -124.034325 397.000000 -248.414505 398.000000 -72.805931 399.000000 14.981631 400.000000 190.762451 401.000000 -2.028880 402.000000 81.741219 403.000000 -39.443703 404.000000 89.964622 405.000000 -156.362930 406.000000 -33.959965 407.000000 86.466316 408.000000 -145.159225 409.000000 123.936211 410.000000 39.941448 411.000000 -151.360992 412.000000 63.937550 413.000000 20.595522 414.000000 195.116318 415.000000 -3.850906 416.000000 142.848099 417.000000 114.724335 418.000000 -11.249870 419.000000 217.047287 420.000000 86.530540 421.000000 97.219643 422.000000 -72.839264 423.000000 -168.718674 424.000000 -12.322116 425.000000 67.803963 426.000000 8.667839 427.000000 108.806618 428.000000 -127.666229 429.000000 6.416392 430.000000 41.252125 431.000000 -178.562759 432.000000 81.810570 433.000000 -107.451752 434.000000 -65.552513 435.000000 17.847374 436.000000 -109.245888 437.000000 -14.152995 438.000000 -172.365768 439.000000 126.542076 440.000000 -166.233215 441.000000 -103.645561 442.000000 -151.071457 443.000000 82.788063 444.000000 114.343117 445.000000 -165.786148 446.000000 -299.557037 447.000000 -252.065186 448.000000 -89.573425 449.000000 -197.792969 450.000000 -69.123009 451.000000 -87.239952 452.000000 -227.282394 453.000000 6.218450 454.000000 -165.060120 455.000000 115.182709 456.000000 216.230789 457.000000 -316.295074 458.000000 163.982895 459.000000 -230.716202 460.000000 53.768219 461.000000 -122.719299 462.000000 -219.977951 463.000000 -167.132980 464.000000 -86.571991 465.000000 -303.986572 466.000000 218.491699 467.000000 179.833603 468.000000 -90.242027 469.000000 32.818752 470.000000 201.246887 471.000000 24.136644 472.000000 51.730301 473.000000 4.944762 474.000000 155.684799 475.000000 39.327576 476.000000 -72.963089 477.000000 11.735555 478.000000 77.814690 479.000000 4.865402 480.000000 144.021622 481.000000 -17.682089 482.000000 26.972803 483.000000 73.150948 484.000000 -100.177834 485.000000 -23.823587 486.000000 -72.291161 487.000000 -133.733994 488.000000 248.429428 489.000000 -140.352356 490.000000 -24.982515 491.000000 15.517079 492.000000 173.455826 493.000000 46.202839 494.000000 -70.469124 495.000000 97.660950 496.000000 -113.610298 497.000000 -55.663578 498.000000 54.735744 499.000000 -107.780952 500.000000 48.123562