X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fmicrocanonical%2FVTS%2Fff_1l2y%2Foutputs%2F1L2Y_micro_006.rst;fp=examples%2Funres%2FMD%2Fmicrocanonical%2FVTS%2Fff_1l2y%2Foutputs%2F1L2Y_micro_006.rst;h=348cff098cd51ff137960acae4130a26d1e033c1;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_006.rst b/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_006.rst new file mode 100644 index 0000000..348cff0 --- /dev/null +++ b/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_006.rst @@ -0,0 +1,90 @@ + 9999.96500017186 62.3911977035823 39.3650609299732 + 101.756258633556 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.28969E+00 -0.34434E+00 0.30649E+00 + -0.28541E+00 0.11075E+00 -0.18941E+00 + 0.27408E-01 0.51143E-01 -0.58526E-01 + -0.21249E+00 -0.82623E-01 -0.11669E+00 + 0.62669E-01 -0.95216E-01 0.24778E+00 + -0.19550E+00 0.15381E+00 0.34065E-01 + 0.36811E+00 -0.89276E-01 -0.27866E+00 + 0.26850E-01 0.31624E+00 0.94393E-01 + -0.34481E+00 -0.36828E+00 0.43535E+00 + 0.11260E+00 -0.37614E-01 -0.38330E+00 + 0.21185E+00 0.22944E-01 -0.32842E+00 + 0.82735E-01 0.13624E+00 0.32511E+00 + -0.44979E+00 0.23673E+00 0.12274E+00 + 0.18034E+00 -0.46288E+00 -0.15672E+00 + 0.10232E+00 0.46948E+00 0.17312E+00 + -0.12823E+00 -0.16718E+00 -0.26966E+00 + 0.49888E-01 -0.56948E-01 0.31664E+00 + -0.14789E+00 0.58776E-01 0.35957E+00 + 0.32535E+00 0.92448E-02 -0.36586E+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 + -0.72947E-01 -0.32347E-01 0.12074E+00 + -0.37291E+00 0.60593E-01 -0.56669E-01 + 0.14172E+00 0.54075E-01 -0.13996E-01 + -0.27235E-02 0.57506E-01 -0.50275E-01 + 0.90815E-01 0.18161E+00 0.75883E-01 + 0.32638E+00 0.12988E+00 -0.19117E-01 + 0.15447E+00 0.23173E-01 -0.10231E+00 + -0.75955E-01 -0.12155E+00 0.31588E-01 + -0.15816E+00 -0.11452E+00 -0.57432E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.56138E-01 0.48666E-01 0.27596E+00 + -0.24456E+00 0.23911E+00 0.30561E+00 + 0.17597E+00 -0.25810E+00 0.30138E-01 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.59685E-01 -0.12064E+00 -0.47112E-01 + 0.96337E-01 -0.77857E-01 0.13277E+00 + 0.36791E-01 0.13242E+00 -0.35269E-01 + 0.71029E-01 -0.67667E-01 -0.21786E+00 + -0.78028E-01 -0.17213E+00 -0.10524E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38605E+01 0.00000E+00 0.00000E+00 + 0.76463E+00 0.23263E+01 0.29584E+01 + 0.47020E+00 0.41339E+01 0.89757E-01 + -0.35511E+01 -0.14135E+00 -0.88834E+00 + 0.48804E+00 0.33389E+01 -0.14341E+01 + 0.17153E+01 -0.17993E+01 -0.27640E+01 + -0.93997E+00 -0.35520E+01 -0.18483E+00 + -0.30243E+01 0.81704E+00 -0.17519E+01 + 0.65126E+00 0.29828E-01 -0.36638E+01 + -0.27626E+01 0.26987E+01 0.85230E+00 + -0.26748E+01 -0.20697E+01 0.15293E+01 + -0.19486E+01 -0.34544E+01 0.19469E+00 + -0.23123E+00 -0.96513E+00 -0.35187E+01 + -0.38002E+01 -0.13864E+01 -0.95671E-01 + -0.26882E+00 -0.79797E+00 -0.37640E+01 + -0.28708E+01 0.91528E+00 -0.19263E+01 + -0.27503E+01 -0.18267E+01 -0.22194E+01 + 0.15533E+01 -0.12559E+01 -0.30602E+01 + -0.30136E+01 -0.94643E+00 -0.17616E+01 + 0.16822E+01 -0.13780E+01 -0.33814E+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 + 0.17595E+01 -0.11765E+01 -0.39526E+00 + 0.14227E+01 -0.15506E+01 0.39579E+00 + 0.26511E+01 0.79554E+00 0.21275E+01 + -0.88112E+00 -0.74048E+00 0.14928E+01 + 0.18694E+01 0.87786E+00 0.14152E+01 + 0.17342E+01 -0.21783E+00 -0.34263E+01 + -0.15706E+01 -0.93667E+00 0.67600E+00 + -0.28233E+01 -0.54499E+00 0.14681E+01 + 0.17439E+01 -0.93415E+00 -0.78760E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.11759E+01 0.58419E+00 0.49245E+00 + 0.62640E+00 -0.75948E+00 -0.99422E+00 + -0.90830E+00 0.81627E+00 0.54030E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.27001E+01 0.12223E+01 0.16928E+01 + -0.81609E+00 0.10739E+01 0.24649E+00 + 0.16482E+00 -0.12383E+01 0.80806E+00 + 0.17589E+00 0.13253E+01 -0.49291E+00 + 0.10016E+01 -0.81042E+00 0.78389E-01 + 0.00000E+00 0.00000E+00 0.00000E+00