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 / MD / with_constrains / Berendsen / ff_1l2y / outputs / 1L2Y_MD_000.rst
diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_000.rst b/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_000.rst
new file mode 100644 (file)
index 0000000..c22d6d2
--- /dev/null
+++ b/examples/unres/MD/with_constrains/Berendsen/ff_1l2y/outputs/1L2Y_MD_000.rst
@@ -0,0 +1,90 @@
+   200000.000002666        32.8607157116084       -13.3767666602946     
+   19.4839490513137        300.000000000000     
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.65796E-01   -0.12013E-01   -0.19763E+00
+   -0.12484E+00   -0.18615E+00   -0.17042E+00
+   -0.16954E+00    0.14276E+00    0.21670E+00
+    0.41867E+00    0.54040E-02   -0.72594E-02
+   -0.31216E+00    0.10950E+00   -0.23435E-01
+    0.90331E-01    0.35645E-01    0.15732E+00
+    0.29415E+00   -0.62586E-01    0.32305E-02
+   -0.36677E+00   -0.10339E-01   -0.94748E-01
+   -0.11777E-01   -0.70168E-01    0.97760E-01
+    0.14336E+00    0.62339E-01   -0.16170E+00
+   -0.54234E-01    0.27546E-01    0.20280E+00
+   -0.23887E+00    0.21038E+00   -0.16321E+00
+    0.33961E+00   -0.17547E+00    0.44818E-01
+   -0.14680E+00    0.75941E-03   -0.12396E+00
+    0.11887E+00   -0.25194E+00    0.42322E-01
+   -0.12253E+00    0.13296E+00   -0.47439E-01
+    0.10048E+00    0.99692E-01    0.37601E-01
+   -0.18688E+00   -0.10318E-01    0.16157E+00
+    0.13593E+00    0.71954E-01   -0.83411E-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
+   -0.19979E+00    0.61564E-01   -0.10843E+00
+   -0.74098E-01    0.10871E+00    0.37461E-02
+    0.19380E+00    0.88471E-01    0.14339E+00
+    0.23367E+00    0.31355E-01    0.40960E-01
+   -0.11346E+00    0.65890E-01    0.16903E-01
+    0.13814E+00   -0.78146E-01    0.93810E-01
+   -0.43555E-01    0.10197E+00   -0.77543E-01
+   -0.29069E+00    0.11833E+00    0.87793E-01
+   -0.11105E+00    0.98287E-01   -0.19709E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.71422E-02   -0.53290E-01   -0.67265E-01
+    0.22032E+00   -0.10875E+00    0.65239E-01
+    0.45243E-01   -0.17530E-01    0.91643E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.45854E-01    0.52932E-01    0.12884E-01
+   -0.94701E-02    0.75341E-01    0.89799E-01
+   -0.89163E-01   -0.72196E-01    0.14831E+00
+    0.22943E+00    0.90981E-01   -0.90400E-01
+   -0.86430E-01   -0.28528E+00   -0.32850E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38605E+01    0.00000E+00    0.00000E+00
+    0.64057E+00   -0.14099E+01   -0.33485E+01
+    0.10179E+01    0.33144E+01   -0.14763E+01
+    0.33157E+01   -0.65194E+00    0.14261E+01
+    0.12796E+01   -0.24180E+01   -0.28937E+01
+    0.24710E+01    0.24309E+01   -0.15095E+01
+   -0.20010E+01    0.28916E+01   -0.61459E+00
+    0.84393E+00    0.27734E+01    0.23278E+01
+    0.36619E+01   -0.12551E+01    0.35535E+00
+    0.78826E+00    0.34270E+01   -0.95501E+00
+   -0.22604E+01   -0.52571E+00   -0.30416E+01
+    0.16755E+01   -0.30613E+01   -0.17342E+01
+    0.37205E+01    0.14108E+01    0.97404E+00
+    0.14982E+01   -0.29481E+01   -0.22152E+01
+    0.31959E+01    0.21373E+01   -0.46338E+00
+   -0.23646E+01    0.26551E+01   -0.17585E+01
+   -0.32886E+01   -0.14247E+01   -0.16979E+01
+    0.17957E+01   -0.18043E+01   -0.28809E+01
+   -0.23289E+01    0.80439E+00   -0.28803E+01
+    0.13385E+00   -0.19712E+01   -0.29984E+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
+    0.15033E+00   -0.12250E+01    0.15887E+01
+   -0.15238E+01   -0.10801E+01   -0.36603E+00
+    0.12286E+01    0.30016E+01   -0.43735E+00
+   -0.62478E+00   -0.90104E+00    0.15104E+01
+   -0.25533E+01    0.66922E+00   -0.45895E+00
+    0.19951E+01   -0.16543E+01   -0.20085E+01
+   -0.19971E+01   -0.46139E+00   -0.33523E+00
+   -0.85264E+00   -0.41034E+00    0.26008E+01
+    0.22957E+00   -0.14368E+01   -0.14154E+01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.51926E+00    0.62225E+00   -0.11428E+01
+   -0.33941E-01    0.26188E+00    0.12688E+01
+   -0.23207E+00   -0.77334E+00   -0.96802E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.34368E+01    0.51962E+00   -0.49576E+00
+   -0.43257E+00    0.12889E+01   -0.42008E+00
+   -0.25025E+00   -0.11067E+01    0.89256E+00
+    0.34284E+00    0.13261E+01    0.37292E+00
+   -0.53799E+00   -0.12281E+01   -0.15573E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x