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_003.rst;fp=examples%2Funres%2FMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_MD_003.rst;h=3064a9f99573501073e6630dcc10a29e44b563b4;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_003.rst b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_003.rst new file mode 100644 index 0000000..3064a9f --- /dev/null +++ b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_003.rst @@ -0,0 +1,90 @@ + 200000.000002666 26.1705987679894 -18.8918909342001 + 7.27870783378931 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.39982E-01 -0.14270E+00 0.18918E+00 + -0.11552E+00 0.19123E+00 -0.80047E-01 + 0.15879E+00 -0.22904E+00 -0.29614E-01 + -0.24583E+00 0.32089E-01 0.39414E-02 + 0.26465E+00 0.19640E+00 0.11776E+00 + -0.48051E-01 -0.93925E-01 -0.15217E+00 + 0.15280E-01 0.80694E-01 0.24134E-01 + -0.49733E-01 0.88554E-01 -0.15266E+00 + -0.85792E-01 -0.18460E+00 0.30180E+00 + -0.65105E-01 0.22714E+00 -0.89668E-01 + 0.35234E-01 -0.19607E+00 -0.22199E+00 + 0.28361E+00 -0.54806E-02 0.22121E+00 + -0.25545E+00 -0.62382E-01 -0.19760E+00 + 0.26541E+00 -0.63448E-01 0.22614E+00 + -0.14366E+00 0.14215E-01 -0.17321E+00 + 0.57408E-01 0.14900E+00 0.11635E+00 + -0.69403E-01 -0.12312E+00 0.83861E-01 + 0.19526E+00 -0.23346E-01 -0.74938E-01 + -0.22727E+00 0.19122E+00 -0.16793E+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 + -0.50797E-01 -0.91612E-01 -0.10303E+00 + 0.82409E-01 0.90917E-01 -0.71634E-01 + 0.19192E-01 -0.55412E-01 -0.11965E+00 + -0.11248E+00 0.61864E-01 0.55330E-01 + 0.48397E-01 0.65026E-01 -0.67620E-01 + -0.10622E+00 -0.60755E-01 -0.12161E+00 + -0.14305E+00 0.17324E+00 0.12746E-01 + -0.10035E-01 0.28533E-01 -0.11374E-01 + 0.62443E-01 -0.23440E+00 0.26401E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.40940E-01 0.13076E-01 0.62922E-01 + -0.29633E+00 0.66930E-01 0.17499E-01 + -0.54129E-01 0.26754E-01 0.33632E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.96282E-02 0.34966E-01 -0.17279E-01 + -0.17685E+00 0.78545E-01 -0.10484E+00 + 0.32268E-01 0.28136E-01 -0.12658E+00 + -0.22146E+00 0.15743E-01 -0.80198E-01 + 0.72400E-01 -0.33159E-01 0.13126E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38000E+01 0.00000E+00 0.00000E+00 + 0.12279E+00 -0.25081E+01 -0.28711E+01 + -0.10277E+01 -0.35631E+01 0.96030E+00 + -0.51812E+00 -0.23005E+01 -0.30640E+01 + 0.11199E+00 -0.30506E+01 0.22252E+01 + -0.31283E+01 0.12668E+01 0.17003E+01 + -0.21786E+01 -0.88082E+00 -0.30345E+01 + 0.23451E+01 -0.27905E+01 -0.11142E+01 + -0.60783E+00 -0.21353E+01 0.31163E+01 + -0.36705E+01 -0.80844E+00 0.60761E+00 + -0.11153E+00 -0.15210E-01 0.37309E+01 + -0.26961E+01 0.17923E+01 0.21775E+01 + -0.41644E-01 0.34775E+01 -0.13010E+01 + -0.11657E+01 0.34750E+01 0.94595E+00 + -0.44072E-01 0.29753E+01 -0.24375E+01 + 0.30958E+01 0.80068E+00 -0.18901E+01 + 0.27911E+01 -0.20048E+01 0.15016E+01 + 0.13548E+01 0.18274E+01 0.29752E+01 + 0.33071E+01 -0.14920E+01 0.11636E+01 + 0.16091E+01 0.28582E+00 0.35304E+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 + -0.32007E+00 0.13135E+01 0.95610E+00 + 0.64920E+00 0.45405E+00 -0.17320E+01 + -0.85828E+00 -0.11463E+01 0.19059E+01 + 0.97325E+00 0.83775E+00 -0.12672E+01 + 0.13583E+01 -0.12673E+01 0.12695E+01 + -0.13946E+01 -0.13548E+01 0.17949E+01 + -0.19508E+00 0.17567E+01 -0.82177E+00 + 0.22961E+01 -0.14089E+00 -0.10337E+01 + 0.16524E+01 0.23316E+00 0.21680E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.72144E+00 0.86338E-01 0.11203E+01 + 0.34896E+00 -0.17484E-01 -0.11338E+01 + 0.24924E+00 0.13253E+00 0.11247E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.33933E+00 0.29255E+01 0.76633E+00 + 0.33013E+00 -0.28595E+00 -0.13044E+01 + -0.70587E+00 -0.87604E+00 0.77991E+00 + 0.29624E+00 0.82859E+00 -0.10424E+01 + -0.79848E+00 -0.88627E+00 0.21752E+00 + 0.00000E+00 0.00000E+00 0.00000E+00