X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2Foutputs%2F1L2Y_micro_003.rst;fp=examples%2Funres%2FMD%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2Foutputs%2F1L2Y_micro_003.rst;h=c10f8eb2bc8c51c0d8ac59678eb72ffececf60e5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_003.rst b/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_003.rst new file mode 100644 index 0000000..c10f8eb --- /dev/null +++ b/examples/unres/MD/microcanonical/RESPA/ff_1l2y/outputs/1L2Y_micro_003.rst @@ -0,0 +1,90 @@ + 10000.0000001719 54.8173116738869 39.2011675504204 + 94.0184792243072 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.23667E-01 -0.31318E+00 0.35475E+00 + 0.19409E+00 0.14337E+00 -0.36785E+00 + -0.51395E-01 -0.11622E+00 0.22700E+00 + -0.37644E-01 0.10551E+00 0.14699E+00 + 0.83727E-01 -0.76265E-01 -0.28001E+00 + -0.19166E+00 0.78594E-01 0.17510E+00 + 0.70176E-01 -0.21280E+00 0.12273E+00 + 0.11695E+00 -0.22586E-01 -0.24576E+00 + 0.14276E+00 0.17068E+00 -0.14888E+00 + -0.36729E+00 0.30986E-01 0.14820E+00 + 0.43615E+00 -0.14791E+00 0.92306E-01 + -0.20782E+00 -0.48024E-01 0.27433E+00 + -0.66719E-01 -0.96225E-01 -0.31230E+00 + 0.19444E+00 0.29430E+00 0.71172E-01 + -0.34505E+00 0.47397E-01 0.73671E-01 + 0.53740E-01 0.44462E-02 -0.98457E-01 + 0.49142E-02 -0.74181E-01 0.30109E+00 + -0.17283E+00 0.15671E+00 -0.38614E+00 + 0.11238E+00 -0.28130E+00 0.21362E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.31634E-02 -0.30994E+00 0.22196E+00 + -0.48250E-01 0.15768E+00 -0.12553E-01 + 0.88160E-01 -0.45517E-01 0.14948E+00 + -0.15778E+00 -0.10596E+00 0.66509E-01 + 0.18813E-01 -0.10498E+00 0.38872E-01 + -0.72405E-01 -0.14189E+00 0.21678E+00 + 0.16771E+00 0.61760E-01 0.19064E+00 + 0.16230E+00 0.25530E-01 -0.17634E+00 + -0.28359E+00 0.20682E+00 0.10568E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.34552E+00 0.66252E-01 -0.10068E+00 + -0.51605E-01 -0.35489E-01 -0.21382E+00 + 0.17818E+00 0.27610E-02 -0.23043E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.56435E-01 -0.80234E-01 -0.35077E-01 + 0.13708E+00 -0.63117E-01 0.12098E+00 + 0.14128E+00 -0.27182E-01 -0.15195E+00 + 0.10084E-01 0.59787E-01 -0.22128E-01 + 0.15328E+00 -0.42009E-01 -0.16629E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38605E+01 0.00000E+00 0.00000E+00 + -0.37468E+00 0.29863E+01 -0.23291E+01 + -0.11114E+00 -0.23333E+01 -0.32241E+01 + 0.14618E+01 0.16303E+01 -0.28528E+01 + 0.23483E+01 -0.29062E+01 0.27087E+00 + -0.10173E+01 -0.15384E+01 -0.35594E+01 + 0.85502E+00 0.32917E+01 -0.13649E+01 + 0.22557E+01 -0.17988E+01 -0.26360E+01 + 0.58312E+00 -0.34014E+01 0.17075E+01 + 0.38166E+00 -0.25615E+01 -0.29339E+01 + -0.23344E+01 -0.66342E+00 -0.30363E+01 + -0.25641E+00 0.29033E+01 -0.23061E+01 + -0.33010E+01 0.18955E+01 -0.64477E+00 + 0.11852E+01 0.32649E+01 0.48243E+00 + -0.30745E+00 0.24554E+01 -0.22473E+01 + 0.18517E+01 0.57006E+00 -0.31391E+01 + 0.24464E+00 -0.28516E+01 -0.25840E+01 + 0.23328E+01 -0.23959E+01 0.10525E+01 + 0.17962E+01 -0.13800E+01 -0.31913E+01 + -0.17702E+00 -0.32438E+01 0.18013E+01 + -0.33070E+01 0.86916E+00 -0.17872E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.18333E+01 -0.47791E+00 -0.74240E+00 + 0.10678E+01 0.13790E+01 -0.13024E+01 + -0.19050E+01 -0.28970E+01 0.42873E+00 + -0.10184E+01 0.98729E+00 -0.89284E+00 + 0.17141E+01 -0.12950E+01 0.83032E+00 + -0.32665E+01 0.82516E+00 -0.90182E+00 + -0.97665E+00 0.18255E+01 -0.26492E+00 + 0.23348E+01 0.14058E+01 -0.72882E+00 + -0.11876E+00 -0.10525E+01 0.16892E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.78166E+00 -0.87357E+00 -0.66340E+00 + -0.98392E+00 0.27218E+00 0.90074E+00 + 0.80530E+00 -0.11114E+01 0.47634E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.32012E+01 -0.12436E+01 -0.35986E+00 + 0.55756E+00 0.11707E+01 -0.65481E+00 + -0.87372E+00 -0.10510E+01 -0.49704E+00 + 0.95404E+00 0.10100E+01 0.35248E+00 + 0.10240E+01 -0.62967E+00 0.58845E+00 + 0.00000E+00 0.00000E+00 0.00000E+00