projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Merge branch 'prerelease-3.2.1' into czarek
[unres.git] / examples / unres / new / MD / Berendsen / ff_gab / 1L2Y_MD_005.rst
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst
deleted file mode 100644 (file)
index cecf5fa..0000000
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst
+++ /dev/null
@@ -1,90 +0,0 @@
-   200000.000002666        28.9367320391563       -8.89912433918327     
-   20.0376076999730        300.000000000000     
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.72724E-01    0.11791E-01   -0.14827E+00
-   -0.16101E+00   -0.59696E-01   -0.11960E+00
-   -0.37927E-01    0.47160E-01   -0.44884E-01
-    0.12993E+00    0.49318E-02    0.22742E+00
-   -0.23174E+00   -0.62725E-01   -0.16552E-01
-    0.14075E+00    0.87166E-01   -0.13513E+00
-   -0.53373E-01   -0.40726E+00    0.73299E-01
-    0.16593E-01    0.48065E+00    0.87298E-01
-    0.84178E-01   -0.30504E+00   -0.12205E+00
-   -0.12565E+00    0.21305E+00    0.83841E-01
-   -0.71207E-01   -0.91039E-01    0.95062E-01
-    0.16613E+00   -0.11306E+00   -0.22991E+00
-   -0.27373E+00    0.36624E-02    0.62421E-01
-    0.37446E+00    0.15312E+00    0.14368E+00
-   -0.35283E+00   -0.40610E-01   -0.42695E-01
-    0.28959E+00   -0.58661E-01   -0.41289E-01
-    0.33947E-01   -0.80464E-03    0.62272E-01
-   -0.22763E+00    0.88081E-01    0.10660E+00
-   -0.71925E-01   -0.14365E+00   -0.25458E+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    0.00000E+00
-   -0.11157E+00   -0.11891E+00   -0.11311E+00
-   -0.27138E+00    0.70747E-01   -0.12318E+00
-   -0.11034E+00    0.33474E-01    0.17060E+00
-   -0.10715E+00   -0.22447E-02    0.23070E+00
-   -0.21100E+00   -0.65549E-01   -0.13233E+00
-    0.12568E+00    0.41399E-01    0.54755E-02
-   -0.10289E+00   -0.39764E-01    0.78632E-01
-   -0.38921E-01    0.35564E+00   -0.17188E-01
-    0.48048E-01   -0.58943E-01   -0.12172E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.20474E+00    0.52540E-01   -0.11432E+00
-    0.58277E-01    0.13295E+00    0.62849E-01
-    0.57464E-02    0.94766E-01   -0.61454E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.21262E+00    0.68759E-02   -0.11437E+00
-   -0.44098E-01    0.14776E+00    0.33199E-01
-   -0.18028E+00   -0.60967E-01   -0.21748E+00
-   -0.72507E-01   -0.42893E-01   -0.75419E-01
-    0.46855E-01    0.16132E+00    0.80975E-02
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.38000E+01    0.00000E+00    0.00000E+00
-    0.24124E+01    0.12535E+01   -0.27467E+01
-    0.17492E+01   -0.29085E+01   -0.17925E+01
-    0.20571E+01    0.96946E+00   -0.29989E+01
-   -0.61810E-01   -0.34864E+01   -0.14032E+01
-   -0.36146E+01    0.50098E+00   -0.97300E+00
-   -0.13549E+01   -0.26293E+01   -0.23457E+01
-   -0.35844E+01   -0.34082E+00   -0.12626E+01
-   -0.14074E+01   -0.29242E+01   -0.19260E+01
-   -0.36154E+01    0.88422E+00   -0.39900E+00
-   -0.86318E+00   -0.11750E+01    0.34561E+01
-    0.11306E+01    0.55395E+00    0.36726E+01
-    0.32001E+01   -0.50899E+00    0.20097E+01
-    0.56896E+00    0.29343E+01    0.23610E+01
-    0.17843E+01   -0.20463E+01    0.26514E+01
-    0.34472E+01    0.54797E+00    0.16229E+01
-    0.27749E+01    0.11664E+01   -0.22976E+01
-    0.92347E+00   -0.27864E+01   -0.23746E+01
-    0.36211E+01    0.70928E+00   -0.76439E+00
-    0.56636E+00    0.66119E+00   -0.37191E+01
-    0.38000E+01   -0.25738E-29   -0.46537E-14
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.25470E+00   -0.13718E+01   -0.90637E+00
-    0.14649E+01    0.11428E+01    0.46980E+00
-   -0.11306E+01   -0.21604E+01   -0.73683E+00
-    0.12723E+01    0.69801E+00    0.98062E+00
-    0.37625E+00   -0.15593E+01    0.15461E+01
-   -0.20773E+01    0.14961E+01   -0.57595E+00
-    0.16363E+01   -0.98088E+00   -0.26082E+00
-   -0.36119E-01    0.23197E+01   -0.10541E+01
-   -0.40955E+00   -0.13528E+01    0.95870E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.10825E+01   -0.77631E+00    0.22666E+00
-    0.21857E+00   -0.10053E+01    0.44770E+00
-   -0.78943E+00   -0.79335E+00    0.44460E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.14804E+01    0.10602E+01    0.24214E+01
-    0.78209E+00    0.22504E+00    0.10470E+01
-   -0.86804E+00    0.33207E+00   -0.95433E+00
-    0.20794E+00   -0.10759E+01   -0.69843E+00
-    0.82123E+00    0.21447E+00   -0.85858E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x