X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_MD_005.rst;fp=examples%2Funres%2FMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_MD_005.rst;h=9cc41633db1c2eff4ab6fbb61aa459515f13c1b2;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_005.rst b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_005.rst new file mode 100644 index 0000000..9cc4163 --- /dev/null +++ b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_005.rst @@ -0,0 +1,90 @@ + 200000.000002666 31.9282606996718 -55.5773427493628 + -23.6490820496910 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.51206E-01 0.20437E-01 -0.16202E+00 + 0.11163E-01 -0.19007E-02 0.23811E+00 + 0.11907E+00 0.54185E-01 -0.21862E+00 + 0.64491E-01 0.50475E-01 0.14092E+00 + -0.21913E+00 0.13514E+00 0.11035E+00 + 0.14718E+00 0.23317E-01 -0.73740E-01 + -0.66137E-01 -0.23204E+00 -0.10803E+00 + -0.87910E-01 0.79571E-01 0.80699E-01 + -0.10760E-02 -0.83722E-01 -0.17761E+00 + 0.81825E-01 0.47657E-01 0.90225E-01 + -0.36933E-01 -0.14122E+00 0.76550E-01 + 0.14170E+00 0.31150E+00 -0.30409E+00 + -0.86433E-01 -0.11174E+00 0.20104E+00 + 0.14266E+00 -0.13093E+00 0.25640E+00 + -0.11181E+00 0.17215E+00 -0.22738E+00 + 0.95353E-01 -0.23082E+00 -0.14955E-01 + -0.17699E+00 0.23420E+00 0.51971E-01 + 0.18792E-01 -0.78728E-01 -0.23918E+00 + -0.91167E-01 -0.83310E-02 0.11638E+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 + 0.12205E+00 0.23549E+00 -0.15019E+00 + 0.20130E+00 0.14673E+00 -0.20717E-01 + 0.81944E-01 0.14102E+00 -0.17350E+00 + -0.19565E+00 -0.98161E-01 0.76015E-02 + -0.69040E-01 -0.16963E-01 -0.10629E+00 + 0.37836E-01 -0.93702E-01 -0.66243E-01 + -0.10536E+00 -0.23531E+00 -0.33088E+00 + 0.33026E-01 0.25948E-01 -0.21469E-01 + 0.61023E-01 -0.33565E-01 -0.53513E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.22973E+00 0.12142E+00 -0.18084E+00 + -0.88778E-02 -0.11829E+00 0.40728E-01 + 0.14272E+00 -0.10726E+00 0.14748E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.89476E-01 -0.59895E-01 0.52174E-01 + -0.88896E-01 -0.20452E-01 -0.13769E-01 + -0.50999E-03 -0.15008E+00 -0.52081E-01 + 0.78746E-02 -0.14890E-01 0.14392E+00 + 0.78352E-02 -0.38747E-01 0.29762E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38000E+01 0.00000E+00 0.00000E+00 + 0.19151E+00 0.19756E+01 -0.32288E+01 + -0.29507E+01 0.22710E+01 0.82018E+00 + 0.22865E+01 0.25293E+01 0.16819E+01 + 0.21093E+01 0.14847E+00 -0.31496E+01 + -0.31421E+01 0.52764E+00 -0.20532E+01 + -0.12644E+01 0.26582E+01 0.24059E+01 + 0.32255E+01 0.19004E+01 -0.32550E+00 + 0.27127E+00 -0.83981E+00 -0.37005E+01 + -0.35694E+01 0.12206E+01 -0.69515E+00 + -0.33370E+01 -0.13163E+01 0.13117E+01 + -0.61306E+00 -0.37124E+01 0.18811E+00 + 0.14381E+01 -0.16540E+01 -0.31412E+01 + -0.16614E+01 -0.33727E+01 -0.50920E+00 + 0.19463E+01 -0.84311E+00 -0.31556E+01 + -0.96218E+00 0.33277E+01 -0.16515E+01 + -0.44907E-01 0.37725E+01 0.49456E+00 + -0.30955E+01 0.15395E+01 0.17264E+01 + -0.19634E+01 0.26818E+01 -0.17089E+01 + 0.28130E+00 0.26975E+01 0.27353E+01 + 0.38000E+01 -0.25738E-29 -0.46537E-14 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.12622E+01 -0.11127E+01 0.25073E+00 + -0.26618E+00 0.94706E+00 -0.16235E+01 + -0.28980E+00 -0.91846E+00 0.22375E+01 + 0.31602E+00 0.17544E+00 0.17666E+01 + 0.16724E+01 -0.14548E+01 0.23647E+00 + -0.13229E+01 0.44758E+00 -0.21527E+01 + -0.11435E+01 -0.12973E+01 0.81218E+00 + 0.70999E+00 0.93205E+00 0.22821E+01 + 0.38001E+00 -0.53003E+00 -0.15305E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.97688E+00 -0.20203E+00 -0.86791E+00 + -0.25909E+00 -0.64956E+00 -0.96000E+00 + -0.10710E+01 0.19045E+00 0.51841E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.24222E+01 0.41160E+00 -0.16989E+01 + -0.59666E+00 0.34443E+00 -0.11945E+01 + 0.76393E+00 -0.19063E+00 0.11433E+01 + -0.34973E+00 -0.70245E+00 -0.10732E+01 + -0.37747E+00 -0.41613E+00 0.10635E+01 + 0.00000E+00 0.00000E+00 0.00000E+00