X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2F1L2Y_micro_001.rst;h=58c2d42a5a22d32034d4a5525bc0123fb5bafeac;hb=d5f5162b182a8b2f7a40d50b6877beb2a52297bc;hp=dc94442436dd683ff469ff380121918537b160ab;hpb=0159dffb0c6ab8021f45dc01794d77b091499a4d;p=unres.git diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst index dc94442..58c2d42 100644 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst +++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_001.rst @@ -1,90 +1,90 @@ - 100000.000001333 1014.81224733336 568.793052401272 - 1583.60529973463 300.000000000000 + 10000.0000001719 450.224126700538 253.919854069364 + 704.143980769902 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - 0.13210E+01 -0.12900E+00 -0.23361E-01 - -0.13410E+01 -0.62047E+00 -0.11230E+01 - 0.12911E+01 0.49075E+00 0.14525E+01 - 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