X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2F1L2Y_micro_004.rst;h=5a8813fcabe05e3135de6455317c6a0bb747df34;hb=59ccb87ee3cf984f400f362969613623be319541;hp=eeed798c166e6ff92663ea0ce65870a04cc67456;hpb=7f0d0e5fd989a56e8e969b0ead7aef311b290f51;p=unres.git diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst index eeed798..5a8813f 100644 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst +++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_004.rst @@ -1,90 +1,90 @@ - 100000.000001333 33.5185178342051 -31.6322797952722 - 1.88623803893289 300.000000000000 + 100000.000001333 1078.11880694492 518.414424358386 + 1596.53323130331 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - -0.10447E+00 0.86738E-01 0.64579E-01 - -0.10787E+00 -0.10273E+00 0.40008E-01 - -0.70911E-01 0.74736E-01 -0.72028E-01 - 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