X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fmicrocanonical%2FRESPA%2Fff_gab%2Foutputs%2F1L2Y_micro_007.rst;fp=examples%2Funres%2FMD%2Fmicrocanonical%2FRESPA%2Fff_gab%2Foutputs%2F1L2Y_micro_007.rst;h=8bff12d6fd54112018f576a737d32eda8ab3b3e2;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_007.rst b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_007.rst new file mode 100644 index 0000000..8bff12d --- /dev/null +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_007.rst @@ -0,0 +1,90 @@ + 10000.0000001719 30.8236756378785 -50.4757879483026 + -19.6521123104241 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.89002E-01 0.64367E-01 0.11999E+00 + 0.30331E-01 -0.74301E-01 0.13100E+00 + -0.26633E+00 -0.16149E+00 -0.25273E+00 + 0.46866E+00 0.38214E+00 0.23679E+00 + -0.33374E+00 -0.27750E+00 0.13281E+00 + -0.43165E-01 0.12434E+00 -0.11854E+00 + 0.16075E+00 -0.20858E+00 0.35026E-01 + -0.53107E-01 0.28122E+00 -0.27025E+00 + 0.76802E-01 -0.79127E-01 0.80221E-01 + 0.26087E+00 0.45669E-02 0.15030E+00 + -0.24609E+00 0.86480E-01 -0.99134E-01 + -0.20882E+00 -0.18226E+00 -0.12889E-01 + 0.45186E+00 0.26684E+00 -0.90665E-02 + -0.30610E+00 -0.10233E+00 0.93690E-01 + -0.16620E-01 -0.11595E+00 -0.16926E+00 + 0.49204E-02 0.38486E-01 0.15367E-02 + -0.11913E+00 -0.38915E-01 0.88115E-01 + 0.11236E+00 0.61221E-01 -0.14507E-01 + 0.34801E+00 0.23218E-01 -0.43857E-01 + 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 + -0.34042E-01 0.16970E-01 0.27431E-01 + -0.68383E-01 -0.82034E-02 0.55296E-01 + 0.16056E-01 0.10120E+00 -0.14702E+00 + 0.27963E+00 0.32897E-01 0.14438E+00 + -0.14431E+00 -0.18689E+00 -0.94273E-01 + 0.45486E-01 0.15807E+00 -0.17661E+00 + 0.21519E+00 0.59489E-01 0.24181E-01 + 0.37781E-02 0.84108E-01 -0.13068E+00 + -0.53883E-01 -0.95342E-01 0.22207E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.61865E-01 -0.10772E+00 0.12661E-01 + 0.29171E+00 0.15866E+00 0.18687E-01 + -0.11522E+00 -0.15972E+00 0.13755E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.83331E-02 0.89711E-01 -0.19027E-02 + -0.94233E-01 0.11520E+00 0.16065E+00 + 0.15360E+00 0.23377E+00 0.23157E-02 + 0.75181E-01 0.11611E-01 0.32189E-01 + -0.27271E+00 -0.26551E-01 0.48416E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38000E+01 0.00000E+00 0.00000E+00 + 0.87317E+00 0.32374E+01 -0.18439E+01 + 0.13399E+01 -0.45600E+00 -0.35590E+01 + -0.33743E+01 -0.10534E+01 -0.14111E+01 + -0.16209E+01 0.30009E+01 0.15063E+01 + 0.27301E+01 0.21964E+01 -0.12936E+01 + 0.48341E+00 -0.16395E+01 -0.33636E+01 + -0.37195E+01 0.55711E+00 -0.85703E+00 + 0.21516E+00 0.35512E+01 0.12941E+01 + 0.18212E+01 0.10638E+01 -0.32340E+01 + 0.33989E+01 -0.15561E+01 -0.47505E+00 + 0.22952E+01 -0.15297E+00 0.30120E+01 + 0.49282E+00 0.37017E+01 -0.28252E-01 + -0.35930E+01 0.70688E+00 0.10447E+01 + 0.24331E+00 0.23845E+01 0.29093E+01 + 0.16500E+01 -0.24319E+01 0.24201E+01 + 0.30804E+01 -0.19484E+01 -0.99187E+00 + -0.46361E+00 -0.36998E+01 0.59787E+00 + 0.16189E+01 -0.30360E+00 0.34180E+01 + -0.24218E+00 -0.38041E+01 -0.33125E+00 + 0.37054E+01 0.10728E+00 -0.83576E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.30231E+00 -0.95350E+00 -0.13019E+01 + 0.50696E+00 0.18567E+01 -0.13877E+00 + 0.89170E+00 -0.23229E+01 0.88145E-01 + -0.15949E+00 -0.16839E+01 -0.22901E+00 + -0.13520E+00 0.12162E+01 0.18197E+01 + 0.15651E+01 0.20220E+01 0.97815E-01 + 0.16854E+01 -0.60348E+00 0.76594E+00 + -0.10592E+01 -0.12753E+01 0.19799E+01 + 0.46952E+00 0.11933E+01 0.11398E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.91955E+00 -0.49014E+00 -0.77527E+00 + -0.80794E-02 0.59224E+00 -0.10220E+01 + -0.29276E+00 -0.11096E+01 -0.17908E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.28308E+01 -0.98067E+00 0.41211E+00 + 0.66784E+00 0.98724E+00 0.71598E+00 + -0.38083E+00 -0.17656E+00 -0.12886E+01 + -0.11962E+01 0.22353E-01 0.54957E+00 + -0.40005E+00 -0.50039E+00 -0.98637E+00 + 0.00000E+00 0.00000E+00 0.00000E+00