projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel
[unres.git] / examples / unres / new / MD / Nose_Hoover / ff_gab / 1L2Y_MD_006.rst
diff --git a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst b/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst
deleted file mode 100644 (file)
index 85010b0..0000000
--- a/examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst
+++ /dev/null
@@ -1,90 +0,0 @@
-   100000.000001333        31.2162489150234       -27.3596780389217     
-   3.85657087610172        300.000000000000     
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.42335E+00   -0.35293E-02    0.28800E+00
-    0.43312E-01   -0.12409E+00   -0.11493E+00
-   -0.10678E+00    0.10878E+00   -0.73423E-01
-    0.19374E-02    0.12041E-01    0.15845E+00
-    0.12360E+00   -0.18133E+00   -0.12901E+00
-   -0.14043E+00    0.96390E-01    0.61434E-01
-    0.80395E-01    0.27833E-01    0.64298E-01
-    0.29441E+00   -0.74913E-01    0.21690E-01
-   -0.44356E+00    0.19149E+00   -0.18604E+00
-    0.25200E+00    0.10644E-02    0.91049E-01
-   -0.21152E-01   -0.26761E+00    0.10902E+00
-   -0.13852E-01    0.41050E+00   -0.21263E+00
-    0.76677E-01    0.41506E-01   -0.44327E-01
-    0.71811E-02   -0.34464E+00    0.10787E+00
-   -0.53947E-01    0.75763E-01    0.21623E-02
-   -0.26727E-01   -0.21984E+00   -0.43398E-01
-   -0.17064E+00    0.24040E+00    0.10568E+00
-    0.16107E+00   -0.45413E-01   -0.44176E-01
-   -0.86076E-01   -0.76768E-01    0.11867E-02
-    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
-   -0.33953E+00   -0.88433E-01    0.20269E+00
-   -0.57200E-01    0.11123E+00   -0.92478E-01
-    0.63143E-01    0.10773E+00   -0.60731E-01
-    0.15015E+00    0.46346E-01    0.68541E-01
-   -0.18231E-02   -0.49534E-02   -0.10236E+00
-   -0.69724E-01    0.90074E-01    0.61521E-01
-    0.20628E+00    0.65405E-01   -0.90519E-01
-   -0.94217E-01    0.65027E-01    0.53371E-01
-   -0.22747E+00    0.14896E+00   -0.19672E-02
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.72233E-02    0.22604E+00   -0.13644E+00
-   -0.10962E+00   -0.21135E+00    0.42463E-01
-   -0.23137E+00   -0.35531E+00   -0.28805E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.16139E-01    0.17713E+00    0.64248E-01
-   -0.14161E+00    0.34103E-01    0.19052E-01
-    0.18621E+00   -0.10560E+00   -0.10057E+00
-   -0.63698E-01   -0.29511E-01   -0.66117E-01
-    0.46450E-01    0.96371E-01   -0.12224E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.38000E+01    0.00000E+00    0.00000E+00
-    0.15109E+01    0.27579E+01   -0.21877E+01
-    0.34423E+01   -0.52505E+00   -0.14778E+01
-   -0.13715E+01    0.17950E+01   -0.30618E+01
-    0.31961E+01    0.21080E+01   -0.37125E+00
-    0.20373E+01   -0.31792E+01    0.21791E+00
-   -0.10632E+01   -0.11418E+01   -0.34734E+01
-    0.36306E+01    0.26501E+00   -0.12723E+01
-    0.28186E+01   -0.22813E+01    0.93843E+00
-    0.26753E+01    0.21666E+01    0.16671E+01
-    0.34507E+01   -0.43940E+00    0.15025E+01
-    0.98458E+00   -0.55751E+00    0.35705E+01
-   -0.26121E+01    0.13574E+01    0.24111E+01
-   -0.49727E+00    0.34268E+01   -0.17165E+01
-   -0.32564E+01   -0.92328E+00   -0.15508E+01
-   -0.23879E+01   -0.25407E+01    0.15919E+01
-    0.84693E+00   -0.36124E+01    0.38433E+00
-   -0.78887E+00   -0.15444E+01   -0.34735E+01
-   -0.16137E+01   -0.34499E+01   -0.27522E+00
-   -0.89210E-01    0.32606E-01   -0.37380E+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
-    0.13911E+01   -0.87295E+00    0.74166E-01
-   -0.17813E+01    0.62728E+00    0.43221E+00
-    0.21811E+01   -0.11079E+01   -0.36763E+00
-   -0.18345E+01    0.28490E+00   -0.51318E-02
-   -0.17849E+00    0.20504E+01    0.69594E+00
-    0.24867E+01   -0.81255E+00    0.25719E+00
-   -0.18777E+01   -0.97788E-01    0.28061E+00
-   -0.49706E+00    0.24621E+01   -0.39311E+00
-    0.13625E+01    0.73850E-01   -0.10154E+01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.55118E+00    0.11781E+01    0.41594E+00
-    0.50825E+00   -0.45426E+00    0.90362E+00
-    0.75403E+00    0.17869E+00   -0.84138E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.27467E+01    0.12555E+01    0.34442E-01
-   -0.10255E+01   -0.72366E+00    0.42730E+00
-    0.12768E+01    0.23167E+00   -0.27084E+00
-   -0.11602E+01    0.53587E+00    0.40057E+00
-   -0.17480E+00    0.11047E+01    0.14199E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x