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 / Langevin / ff_1l2y / outputs / 1L2Y_MD_002.rst
diff --git a/examples/unres/MD/Langevin/ff_1l2y/outputs/1L2Y_MD_002.rst b/examples/unres/MD/Langevin/ff_1l2y/outputs/1L2Y_MD_002.rst
new file mode 100644 (file)
index 0000000..0dabb42
--- /dev/null
+++ b/examples/unres/MD/Langevin/ff_1l2y/outputs/1L2Y_MD_002.rst
@@ -0,0 +1,90 @@
+   200000.000002666        34.5246658353705       -33.7558407562678     
+  0.768825079102683        300.000000000000     
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.11092E+00   -0.92221E-01    0.98594E-01
+   -0.24280E+00    0.73573E-01   -0.23984E+00
+    0.45678E-01    0.42173E-01    0.31628E+00
+   -0.16114E+00    0.13265E+00   -0.16389E+00
+    0.27462E+00   -0.18188E+00   -0.63782E-01
+   -0.28027E-01    0.20085E-01   -0.11987E+00
+   -0.19151E+00   -0.10347E+00    0.23679E+00
+    0.20982E+00    0.11584E+00   -0.18693E+00
+   -0.25850E+00    0.20345E+00    0.11884E+00
+    0.13576E+00   -0.99530E-01    0.13682E+00
+   -0.49421E-01   -0.32152E+00   -0.41145E-01
+   -0.22348E+00    0.36145E+00   -0.21058E+00
+    0.32344E+00   -0.13797E+00    0.28007E+00
+   -0.15575E+00    0.10361E+00   -0.16214E+00
+    0.22542E-01   -0.12243E+00   -0.10267E-01
+    0.47843E-01   -0.17026E+00    0.55928E-01
+   -0.10301E+00    0.13317E+00   -0.20448E+00
+    0.19563E+00   -0.13451E+00   -0.64880E-01
+    0.11218E+00    0.13888E+00    0.41297E+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
+   -0.99078E-01   -0.15544E-01   -0.37985E-01
+   -0.27504E+00    0.45766E-01   -0.15319E+00
+   -0.21276E-01   -0.51864E-01    0.10407E+00
+    0.77028E-01   -0.12064E+00   -0.13248E+00
+   -0.83271E-02   -0.14027E+00   -0.68278E-01
+   -0.25390E+00   -0.25365E-01    0.17386E+00
+    0.37883E-02   -0.82675E-01    0.12939E+00
+    0.42741E-02    0.16279E+00   -0.18985E+00
+   -0.66615E-01   -0.12569E+00    0.97724E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.86402E-02    0.16969E+00   -0.14694E+00
+    0.33987E+00   -0.18627E+00    0.96008E-01
+   -0.11879E+00   -0.31316E-01   -0.15592E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.63023E-01   -0.19833E-01    0.40604E-01
+    0.58861E-01    0.31308E+00    0.61616E-01
+    0.10072E+00    0.60847E-01    0.10379E+00
+   -0.43786E-01    0.16522E+00   -0.52525E-03
+   -0.34493E+00    0.70582E-01   -0.66837E-01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38000E+01    0.00000E+00    0.00000E+00
+    0.55553E+00   -0.33815E+01    0.14684E+01
+    0.36892E+01    0.13070E+01    0.63486E+00
+   -0.16614E+01    0.23140E+01    0.26239E+01
+   -0.39465E+00   -0.33892E+01    0.16239E+01
+    0.36053E+01    0.46501E+00    0.81977E+00
+   -0.83555E+00    0.29534E+01    0.23366E+01
+   -0.21217E+01   -0.25218E+01    0.18549E+01
+    0.36430E+01   -0.14131E+01    0.54298E+00
+   -0.33559E+00    0.68783E+00    0.39166E+01
+   -0.14983E+01    0.31540E+01   -0.64839E+00
+    0.25741E+01    0.20428E+01   -0.18762E+01
+    0.30853E+01   -0.17758E+01    0.10048E+01
+    0.63993E+00   -0.23076E+01   -0.30141E+01
+    0.33966E+01    0.12454E+01   -0.19541E+00
+   -0.15728E+01    0.36417E+01   -0.17582E-01
+   -0.34397E+01    0.18741E-01   -0.15607E+01
+    0.16930E+01   -0.87615E+00   -0.34877E+01
+   -0.27680E+01    0.37935E+00   -0.27987E+01
+    0.19593E+00   -0.24368E+01   -0.31658E+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
+    0.20775E+01    0.43698E+00    0.14757E+00
+   -0.89853E+00   -0.14357E+01    0.11304E+01
+    0.10710E+01   -0.88081E+00   -0.30558E+01
+   -0.17872E+01    0.37451E+00   -0.34547E+00
+    0.11934E+01   -0.11119E+01   -0.19163E+01
+    0.19473E+01    0.10773E+01   -0.25106E+01
+    0.81583E+00    0.10672E+01   -0.14491E+01
+   -0.11254E+01   -0.28731E+01    0.57130E-01
+    0.10101E+01   -0.97791E+00   -0.15278E+01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.76576E+00    0.11259E+01    0.36580E+00
+    0.57010E-02   -0.10814E+01    0.67566E+00
+   -0.13471E+01    0.22880E+00   -0.30782E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.32168E+01    0.15715E+01    0.76753E+00
+    0.49949E-02    0.12983E+01    0.62747E+00
+    0.29221E+00   -0.11935E+01    0.77409E+00
+    0.93362E+00    0.89570E+00   -0.65253E+00
+   -0.47571E+00    0.78930E+00   -0.96562E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x