X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_004.rst;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_004.rst;h=be2cdc61462a735ef822f16a989621aa9581ea04;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=03d1d7fe3758b1b4634f39088f535b057b290dc6;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst index 03d1d7f..be2cdc6 100644 --- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst +++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_004.rst @@ -1,90 +1,90 @@ - 200000.000002666 36.3221962081157 -32.3430281368654 - 3.97916807125026 300.000000000000 + 200000.000002666 31.6099672284136 -31.1914877471064 + 0.418479481307163 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - 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