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_005.rst;fp=examples%2Funres%2FMD%2Fmicrocanonical%2FVTS%2Fff_1l2y%2Foutputs%2F1L2Y_micro_005.rst;h=53cef50ce1eab6a49ce72d76a63c0cb025be7d77;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_005.rst b/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_005.rst new file mode 100644 index 0000000..53cef50 --- /dev/null +++ b/examples/unres/MD/microcanonical/VTS/ff_1l2y/outputs/1L2Y_micro_005.rst @@ -0,0 +1,90 @@ + 9999.97250017185 65.6266445073124 33.4457521205420 + 99.0723966278543 300.000000000000 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.36613E+00 0.12529E+00 -0.39074E+00 + 0.14198E+00 -0.27949E+00 0.51993E+00 + -0.12329E+00 -0.32916E+00 -0.24050E+00 + -0.19066E+00 0.31605E+00 0.13707E+00 + 0.43001E-01 0.14217E+00 -0.25552E+00 + -0.93833E-01 -0.13939E+00 0.49082E+00 + 0.90097E-01 0.10878E+00 -0.48081E+00 + 0.98695E-01 -0.20525E+00 -0.51666E-01 + -0.40488E+00 0.82839E-01 0.40053E+00 + 0.38151E+00 0.21530E-02 -0.19276E+00 + -0.13302E+00 -0.13786E+00 -0.44100E-01 + 0.17275E+00 -0.87876E-01 0.23239E+00 + 0.12874E+00 0.29082E+00 -0.26278E+00 + -0.31914E+00 -0.29674E+00 0.14278E+00 + 0.18259E-01 0.25452E+00 -0.11753E+00 + 0.23106E+00 -0.86082E-01 0.76433E-01 + 0.18074E+00 0.15455E+00 0.65784E-01 + -0.34682E+00 -0.31693E+00 -0.39747E+00 + -0.11494E+00 0.46583E+00 0.78538E+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 + 0.14696E+00 0.64247E-03 -0.98895E-01 + 0.32974E-01 -0.19568E+00 0.20142E+00 + -0.26396E+00 -0.88613E-02 -0.18017E+00 + -0.15190E-01 0.24711E+00 0.46011E-01 + 0.55234E-01 0.18919E+00 -0.18767E-01 + 0.11847E+00 -0.27202E+00 0.18288E+00 + 0.80176E-01 -0.37843E-01 -0.46392E+00 + 0.24060E-01 -0.15140E+00 0.20929E-01 + 0.96133E-01 0.74946E-01 0.14232E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.46839E-01 0.21577E+00 -0.38640E-01 + -0.76116E-01 0.19390E+00 -0.33835E-01 + -0.76185E-01 -0.64041E-01 -0.34799E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.49870E-01 -0.72044E-01 -0.90984E-01 + -0.13167E+00 0.15527E+00 -0.25394E+00 + -0.36928E+00 -0.14362E+00 -0.12296E+00 + 0.40824E-01 -0.48666E-02 0.20559E-01 + -0.26947E+00 -0.15469E+00 -0.31180E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.38605E+01 0.00000E+00 0.00000E+00 + -0.14211E+01 -0.29232E+01 0.21055E+01 + -0.32549E+01 -0.18201E+01 -0.13382E+01 + -0.15669E+01 0.35115E+01 -0.77769E-01 + -0.23101E+01 -0.23144E+01 -0.22993E+01 + -0.34725E+01 0.55832E+00 -0.12744E+01 + -0.18264E+00 0.22671E+01 -0.33856E+01 + -0.29734E+01 -0.20531E+00 -0.25448E+01 + 0.66324E+00 -0.20929E+01 -0.32539E+01 + -0.36878E+01 0.14590E-02 -0.73483E+00 + -0.45536E+00 -0.28530E+01 0.23175E+01 + 0.32689E+01 -0.22526E+01 -0.73153E+00 + 0.23072E+00 -0.42682E+00 -0.38489E+01 + 0.49916E+00 -0.36059E+01 0.77135E+00 + 0.59370E-01 -0.31917E+01 -0.18900E+01 + -0.28248E+01 -0.10146E+01 -0.23766E+01 + -0.37704E+00 -0.22549E+01 -0.27321E+01 + 0.28211E+01 0.96720E+00 -0.26706E+01 + -0.16753E+01 -0.99119E+00 -0.34172E+01 + -0.10916E+01 0.29212E+01 -0.18877E+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 + 0.20851E+01 0.21849E-01 0.22881E+00 + -0.26711E+00 0.19121E+01 0.98741E+00 + 0.41474E+00 -0.18291E+01 0.27475E+01 + 0.12543E+01 0.89714E+00 -0.50995E+00 + 0.17027E+01 -0.12763E+01 -0.73960E+00 + 0.44964E+00 0.43229E+00 0.32368E+01 + 0.13846E+01 -0.45082E+00 -0.17939E+01 + -0.12184E+00 0.20957E+01 0.10802E+01 + 0.17412E+01 -0.11898E+00 -0.11003E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.00000E+00 0.00000E+00 0.00000E+00 + -0.83084E+00 -0.10655E+01 0.58216E+00 + 0.72822E+00 0.93122E+00 -0.49329E+00 + -0.90088E+00 -0.18344E+00 0.10116E+01 + 0.00000E+00 0.00000E+00 0.00000E+00 + 0.41891E+00 0.29029E+01 -0.22931E+01 + -0.10147E+01 0.91223E+00 -0.49843E+00 + 0.63318E+00 -0.39826E+00 0.12867E+01 + -0.11204E+01 -0.24874E+00 0.81217E+00 + 0.68923E+00 0.18329E+00 -0.11970E+01 + 0.00000E+00 0.00000E+00 0.00000E+00