Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / MD / with_constrains / Berendsen / ff_gab / 1L2Y_MD_002.rst

diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst
deleted file mode 100644 (file)
index 74360e5..0000000
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_002.rst
+++ /dev/null
@@ -1,90 +0,0 @@
-   200000.000002666        41.7605616721996       -40.5400620777217     
-   1.22049959447785        300.000000000000     
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.11037E+00    0.41312E+00    0.42684E-01
-   -0.53985E-01   -0.47047E+00    0.23562E-01
-    0.68825E-01    0.38729E+00    0.36698E-01
-   -0.16879E+00   -0.31834E+00   -0.23332E+00
-   -0.50360E-01    0.73838E-01    0.20039E+00
-    0.24714E+00    0.13026E+00   -0.25988E+00
-    0.46844E-01    0.24907E-01    0.23001E+00
-   -0.25610E+00   -0.66808E-01    0.11927E+00
-   -0.33095E-01    0.23234E+00   -0.61845E+00
-    0.74186E-01   -0.24508E+00    0.34391E+00
-   -0.13154E-01    0.11047E+00   -0.11223E-01
-   -0.10273E+00   -0.21162E+00    0.87153E-01
-    0.28707E+00    0.35442E-01    0.61941E-02
-   -0.19816E+00   -0.10357E+00    0.24368E-01
-    0.23799E+00    0.96100E-01    0.11422E+00
-   -0.15407E+00   -0.51165E-01   -0.22318E+00
-   -0.47004E-01    0.43930E-03    0.28277E+00
-    0.21148E-01    0.25187E+00   -0.21904E+00
-    0.53386E-01    0.50418E-01    0.16434E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.13990E+00    0.13667E-01   -0.16047E+00
-   -0.65235E-01   -0.39892E-01   -0.14225E+00
-    0.63201E-01    0.21244E+00   -0.10946E+00
-    0.95282E-01   -0.30980E+00   -0.19139E+00
-    0.16035E+00    0.18384E+00    0.27465E-01
-   -0.17422E-02   -0.23406E-01   -0.37180E-01
-    0.73942E-01    0.17521E-01    0.14070E+00
-   -0.18348E+00   -0.35247E-01    0.10910E-01
-    0.56478E-02   -0.48701E-02   -0.21204E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.63877E-01   -0.14103E+00    0.11942E+00
-    0.12986E+00    0.12385E+00    0.65532E-01
-   -0.17214E+00   -0.45190E-01    0.89414E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.23204E+00   -0.34444E-01    0.45830E-02
-   -0.65784E-01   -0.24186E-01    0.14526E-01
-    0.12309E+00   -0.19263E-01   -0.14483E+00
-    0.24904E-01   -0.18608E+00    0.21588E-01
-   -0.12743E+00   -0.22751E+00    0.93679E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.38605E+01    0.00000E+00    0.00000E+00
-    0.31433E+00   -0.36686E+01    0.74915E+00
-   -0.32695E+01   -0.63071E+00   -0.18693E+01
-    0.78090E+00   -0.37310E+01   -0.20919E+00
-   -0.10565E+01   -0.65229E+00    0.35652E+01
-   -0.34277E+01    0.15264E+01   -0.59006E+00
-   -0.45760E+00   -0.19390E+01   -0.32638E+01
-    0.13859E+01   -0.33048E+01    0.11789E+01
-   -0.31255E+01   -0.71389E+00    0.20439E+01
-   -0.64521E+00   -0.30708E+01   -0.20631E+01
-   -0.12763E+01    0.19361E+01   -0.30015E+01
-   -0.37414E-01    0.37843E+01   -0.12558E+00
-   -0.30127E+01    0.75507E+00    0.22067E+01
-    0.50508E+00    0.37546E+01   -0.10677E+00
-   -0.89570E+00    0.25670E+01   -0.26764E+01
-    0.35950E+01    0.53781E+00   -0.10207E+01
-    0.23136E+01   -0.15356E+01   -0.26450E+01
-    0.75633E+00   -0.36633E+01    0.19055E+00
-    0.37496E+01   -0.69279E+00   -0.58975E+00
-   -0.73993E+00   -0.35667E+01   -0.12981E+01
-   -0.33070E+01    0.86916E+00   -0.17872E+01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.66709E+00    0.15187E+01   -0.40564E+00
-    0.18860E+01    0.30983E+00   -0.96139E-01
-   -0.26927E+00   -0.27575E+00   -0.24106E+01
-    0.13956E+01   -0.81669E+00   -0.70347E+00
-    0.13174E+01    0.12857E+01    0.12897E+01
-   -0.21001E+01   -0.99345E-01    0.15593E+01
-    0.20287E+00    0.13350E+01   -0.13746E+01
-   -0.17754E+00    0.97297E+00    0.23188E+01
-   -0.13807E+01   -0.15285E+00    0.10599E+01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.43779E+00   -0.16206E+00   -0.12864E+01
-    0.66107E-01   -0.68182E+00    0.94863E+00
-    0.10738E+01    0.18423E+00    0.54048E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.17268E+01   -0.12644E+00    0.24241E+01
-    0.94474E+00    0.91921E+00    0.42147E+00
-   -0.11870E+01   -0.95253E-01   -0.57466E+00
-    0.22771E+00   -0.10067E-01    0.13825E+01
-    0.60717E-01   -0.60315E+00    0.10099E+01
-    0.00000E+00    0.00000E+00    0.00000E+00