Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / MD / with_constrains / Berendsen / ff_gab / 1L2Y_MD_007.rst

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
deleted file mode 100644 (file)
index 0442a46..0000000
--- a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_007.rst
+++ /dev/null
@@ -1,90 +0,0 @@
-   200000.000002666        25.2373488845292       -29.7625569110435     
-  -4.52520802651433        300.000000000000     
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.52859E+00    0.31110E+00    0.50814E+00
-    0.37451E+00   -0.26777E+00   -0.12620E+00
-   -0.16886E+00   -0.11119E+00   -0.18883E-01
-    0.90975E-01    0.17398E+00    0.15218E+00
-   -0.70419E-01   -0.11738E+00   -0.19202E+00
-   -0.17206E-01    0.23377E+00   -0.11830E+00
-    0.28817E-01    0.30412E-02    0.18767E+00
-   -0.30265E-01   -0.11377E+00    0.30100E-01
-    0.37751E-01   -0.37788E-01    0.10733E+00
-   -0.99882E-01   -0.35651E-01   -0.50680E-01
-    0.19984E+00    0.19228E+00   -0.74610E-01
-   -0.54551E-01   -0.14726E+00   -0.18749E+00
-    0.29134E-02    0.52462E-01    0.22668E+00
-   -0.13413E+00    0.14211E-01    0.12511E+00
-    0.54289E-01    0.40233E-01   -0.12502E+00
-    0.28574E-01   -0.10363E+00   -0.14097E+00
-   -0.71177E-01   -0.70844E-01    0.50206E-01
-   -0.48840E-01    0.11508E+00    0.13876E+00
-    0.47063E-02    0.12985E+00   -0.59433E-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
-   -0.14291E+00    0.20468E+00    0.40563E+00
-    0.99139E-01   -0.42767E-01   -0.85981E-02
-   -0.91378E-01    0.10482E-01   -0.93281E-01
-   -0.79594E-01    0.14867E+00   -0.82373E-02
-   -0.91263E-01   -0.90829E-01   -0.13004E+00
-    0.68977E-01    0.11700E-01    0.10403E+00
-    0.14569E-01   -0.19824E-01    0.88152E-01
-    0.53853E-02   -0.59005E-01   -0.16857E-01
-   -0.15431E-01   -0.11075E+00   -0.88525E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.14994E+00   -0.12100E+00   -0.14870E-01
-    0.49382E-01    0.25142E-01    0.14378E+00
-   -0.22939E+00   -0.12611E+00   -0.54852E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.76239E-01   -0.14788E+00   -0.74570E-02
-    0.70296E-02   -0.65363E-01    0.74376E-01
-    0.72165E-01    0.58849E-02   -0.25016E-01
-    0.17755E+00   -0.12674E+00   -0.12420E+00
-    0.10487E+00   -0.10954E+00    0.77525E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.38605E+01    0.00000E+00    0.00000E+00
-    0.20999E+01    0.78483E+00    0.31040E+01
-    0.13472E+01    0.34011E+01   -0.94420E+00
-    0.15267E+01    0.46074E+00    0.34503E+01
-    0.14339E+01    0.34054E+01   -0.86391E+00
-   -0.35274E+01    0.12137E+01   -0.77671E+00
-   -0.18434E+01   -0.15217E+01    0.30512E+01
-    0.23103E+01    0.19241E+01    0.24288E+01
-   -0.13640E+01    0.33817E+01   -0.11828E+01
-   -0.21662E+01    0.31057E+00    0.31289E+01
-   -0.14709E+01   -0.32771E+01    0.12530E+01
-   -0.12950E+01   -0.27186E+01   -0.22250E+01
-   -0.19996E+01    0.24163E+01   -0.21851E+01
-    0.19378E+01    0.17270E+01   -0.27598E+01
-   -0.20555E+01    0.23040E+01   -0.21007E+01
-    0.32425E+01    0.97054E+00   -0.18531E+01
-    0.10318E+01   -0.10004E+01   -0.34955E+01
-    0.91221E+00   -0.37077E+01   -0.71109E+00
-    0.37880E+01   -0.61906E+00    0.25397E+00
-   -0.44901E+00   -0.33551E+01   -0.17376E+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
-    0.15403E+00    0.15293E+01   -0.65358E+00
-    0.96757E+00   -0.14045E+01    0.90500E+00
-   -0.11384E+01    0.20522E+01   -0.55851E+00
-    0.10836E+01   -0.12025E+01    0.88875E+00
-    0.18772E+01    0.57765E+00   -0.10419E+01
-   -0.11954E+01    0.22431E+01   -0.18082E+00
-   -0.32870E+00   -0.16659E+01   -0.97650E+00
-   -0.82855E+00    0.82224E-01    0.23776E+01
-   -0.10308E+01    0.12096E+01   -0.70693E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.78505E+00   -0.35377E+00    0.10481E+01
-   -0.10168E+01    0.35915E+00    0.44725E+00
-    0.77045E+00   -0.92137E+00    0.14829E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.76520E+00    0.28733E+01   -0.44971E+00
-    0.86411E+00    0.97124E+00    0.97241E-01
-   -0.13235E+01   -0.40798E-01   -0.40855E+00
-    0.25409E+00    0.12384E+00    0.12872E+01
-   -0.59856E+00   -0.73595E+00    0.74839E+00
-    0.00000E+00    0.00000E+00    0.00000E+00