projects / unres.git / blobdiff
? search:
summary | shortlog | log | commit | commitdiff | tree
raw | inline | side by side
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko
[unres.git] / examples / unres / new / MD / Berendsen / ff_gab / 1L2Y_MD_000.rst
diff --git a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst b/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst
deleted file mode 100644 (file)
index 4ca1cf4..0000000
--- a/examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst
+++ /dev/null
@@ -1,90 +0,0 @@
-   200000.000002666        30.7593164416587       -25.0852079308218     
-   5.67410851083685        300.000000000000     
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.17191E-01   -0.34432E-01   -0.15792E+00
-   -0.71013E-01   -0.14477E+00   -0.11708E+00
-   -0.21709E+00    0.10885E+00   -0.83042E-01
-    0.36129E+00    0.48638E-01    0.31580E+00
-   -0.14045E+00    0.12569E+00   -0.13768E+00
-   -0.41198E-01   -0.12765E+00    0.17842E+00
-    0.27665E+00    0.18559E+00   -0.11367E+00
-   -0.23131E+00   -0.64381E-01    0.17040E-01
-   -0.14534E+00   -0.21892E+00    0.35567E-02
-    0.24253E+00    0.25643E+00   -0.21701E-01
-   -0.21492E+00   -0.23592E+00    0.52348E-02
-   -0.38827E-02    0.44669E+00    0.33821E-01
-    0.16970E+00   -0.31213E+00   -0.37254E-01
-   -0.60598E-01    0.92876E-01   -0.36460E-01
-    0.62597E-01   -0.23094E+00   -0.11195E+00
-   -0.19788E+00    0.37414E-01    0.67589E-01
-    0.16909E+00    0.83159E-01    0.15281E+00
-   -0.83968E-01    0.20884E-01   -0.19657E+00
-    0.13150E+00   -0.48263E-01    0.15161E+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
-   -0.10033E+00    0.28122E-01   -0.71047E-01
-   -0.66335E-01    0.10385E+00   -0.28850E-01
-    0.14301E+00    0.71995E-01    0.71468E-01
-    0.23975E+00    0.37241E-01    0.22083E+00
-   -0.70649E-02    0.62856E-01   -0.64459E-01
-    0.77214E-01   -0.79685E-01    0.99847E-01
-   -0.18611E-01    0.17609E+00   -0.89570E-01
-   -0.22287E+00    0.24331E-01    0.16271E+00
-   -0.15523E+00    0.65838E-01   -0.40621E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.11516E+00    0.31993E-01    0.32493E-01
-    0.11387E+00   -0.15869E+00   -0.10226E-02
-    0.90881E-01    0.54943E-01    0.10256E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-   -0.20711E-01   -0.11762E-01    0.11677E+00
-    0.29097E-01    0.67365E-01    0.63705E-01
-   -0.59716E-01   -0.54779E-01    0.32696E-01
-    0.15115E+00    0.44808E-01    0.66688E-01
-   -0.19925E+00   -0.19942E+00   -0.28465E-01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.38000E+01    0.00000E+00    0.00000E+00
-    0.30033E+00    0.36579E+01   -0.97846E+00
-    0.26220E-01    0.20464E+01    0.31489E+01
-    0.22996E+00    0.37258E+01   -0.79702E+00
-   -0.11354E+01    0.11424E+01    0.33649E+01
-    0.27198E+01   -0.20515E+01    0.15404E+01
-    0.27519E+01    0.18090E+01   -0.19287E+01
-   -0.90803E+00    0.32868E+01    0.16301E+01
-    0.14817E+01   -0.77178E+00    0.33886E+01
-    0.23380E+01    0.29165E+01    0.62401E+00
-    0.22215E+01   -0.66532E+00   -0.30431E+01
-   -0.63434E+00   -0.33936E+01   -0.15406E+01
-   -0.28486E+00   -0.19503E+01    0.32270E+01
-   -0.19246E+01   -0.31079E+01   -0.11559E+01
-    0.44211E+00   -0.37555E+01   -0.16305E+00
-    0.17662E+01    0.65913E-01   -0.33740E+01
-    0.30029E+01    0.18053E+01   -0.14922E+01
-   -0.51964E+00    0.35215E+01   -0.13902E+01
-    0.99508E+00   -0.72214E+00   -0.35348E+01
-    0.72749E+00    0.36790E+01   -0.73838E+00
-    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
-    0.13944E+01   -0.77493E+00    0.30074E+00
-   -0.25253E+00   -0.74061E+00   -0.17462E+01
-    0.13621E+01   -0.14349E+01    0.15708E+01
-   -0.68703E+00    0.65095E+00   -0.15263E+01
-   -0.18893E+01   -0.75784E+00    0.98371E+00
-    0.10325E+01   -0.82822E+00    0.22883E+01
-    0.42621E+00    0.56322E+00   -0.18317E+01
-   -0.23016E+01    0.47802E+00   -0.11167E+01
-    0.68095E+00   -0.12934E+01    0.86230E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.12341E+01   -0.29713E+00   -0.39830E+00
-    0.11089E+01   -0.38234E+00    0.14727E+00
-    0.20326E+00   -0.11768E+00   -0.10890E+01
-    0.00000E+00    0.00000E+00    0.00000E+00
-    0.18466E+01   -0.16872E+01    0.15786E+01
-    0.22410E+00   -0.12593E+01   -0.40802E+00
-    0.11278E+01    0.29551E+00    0.65092E+00
-   -0.70120E+00   -0.11222E+01    0.78961E-01
-   -0.86903E+00    0.37519E+00    0.55121E+00
-    0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x