X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2F1L2Y_micro_003.rst;h=406bd04216af791ae9d50061168af2080cd6dbc4;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=5e087169ed9359ad6c07919f0a472e7c7bc8440d;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst index 5e08716..406bd04 100644 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst +++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_003.rst @@ -1,90 +1,90 @@ - 10000.0000001719 501.331226402232 199.717098399166 - 701.048324801398 300.000000000000 + 10000.0000001719 26.2989315725555 -47.7117037236092 + -21.4127721510537 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - -0.42584E+00 -0.23413E+00 0.13836E+01 - 0.79865E+00 0.57072E-02 -0.55317E+00 - -0.90478E+00 0.25321E+00 -0.40179E+00 - 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