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_007.rst;fp=examples%2Funres%2Fnew%2FMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_MD_007.rst;h=0442a464cabc40ed1d8a33082fabb8578d799d3e;hb=39bffec2e960cdaa362c075425c0aa94bbd673c9;hp=07133f7279252afb471e912d6236c005f477620f;hpb=036e8e1e671a1293c1f636d9246e3dfd74f38ec1;p=unres.git diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst index 07133f7..0442a46 100644 --- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst +++ b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst @@ -1,90 +1,90 @@ - 200000.000002666 26.6435412052366 -15.4879453464261 - 11.1555958588105 300.000000000000 + 200000.000002666 25.2373488845292 -29.7625569110435 + -4.52520802651433 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - 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