Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_1l2y / fort.2

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/fort.2 b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/fort.2
new file mode 100644 (file)
index 0000000..1d5fbf5
--- /dev/null
+++ b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/fort.2
@@ -0,0 +1,110 @@
+ Start reading THETA_PDB
+ End reading THETA_PDB
+ j           2  k           3
+ j           2  k           4
+ j           2  k           5
+ j           2  k           6
+ j           2  k           7
+ j           2  k           8
+ j           2  k           9
+ j           2  k          10
+ j           3  k           4
+ j           3  k           5
+ j           3  k           6
+ j           3  k           7
+ j           3  k           8
+ j           3  k           9
+ j           3  k          10
+ j           4  k           5
+ j           4  k           6
+ j           4  k           7
+ j           4  k           8
+ j           4  k           9
+ j           4  k          10
+ j           5  k           6
+ j           5  k           7
+ j           5  k           8
+ j           5  k           9
+ j           5  k          10
+ j           6  k           7
+ j           6  k           8
+ j           6  k           9
+ j           6  k          10
+ j           7  k           8
+ j           7  k           9
+ j           7  k          10
+ j           8  k           9
+ j           8  k          10
+ j           9  k          10
+ acceleration/energy drift too large   6.22700722506562     
+   44.5137346493434       split increased to            2  itime      234715 
+  itsplit           1
+ acceleration/energy drift too large   6.86814035347406     
+   12.4746903563092       split increased to            2  itime      514594 
+  itsplit           1
+ acceleration/energy drift too large   6.55925793931436     
+   15.8656739496644       split increased to            2  itime      653285 
+  itsplit           1
+ acceleration/energy drift too large   21.9080212609904     
+   313.864278107703       split increased to            2  itime      716644 
+  itsplit           1
+ acceleration/energy drift too large   7.05820437593023     
+   65.2498780261722       split increased to            2  itime      766874 
+  itsplit           1
+ acceleration/energy drift too large   3.27399071955341     
+   11.2118420753555       split increased to            2  itime      766875 
+  itsplit           1
+ acceleration/energy drift too large   1.65659624160402     
+   12.8042137151367       split increased to            4  itime      766875 
+  itsplit           1
+ acceleration/energy drift too large   3.73456721524056     
+   16.0028892511076       split increased to            2  itime      774313 
+  itsplit           1
+ acceleration/energy drift too large   31.2190662301148     
+   1043.16119124700       split increased to            2  itime      997277 
+  itsplit           1
+ acceleration/energy drift too large   4.45187640165009     
+   25.3192539827523       split increased to            2  itime      805374 
+  itsplit           1
+ acceleration/energy drift too large   2.68717091115819     
+   36.2762846456559       split increased to            4  itime      805374 
+  itsplit           1
+ acceleration/energy drift too large   8.91951026538456     
+   111.515595256629       split increased to            2  itime      821660 
+  itsplit           1
+ acceleration/energy drift too large   7.49222623976741     
+   75.0988053069829       split increased to            2  itime      821661 
+  itsplit           1
+ acceleration/energy drift too large   1.99475931907040     
+   18.8634159986581       split increased to            4  itime      821661 
+  itsplit           1
+ acceleration/energy drift too large   5.16826042460590     
+   14.6364245545982       split increased to            2  itime      956637 
+  itsplit           1
+ acceleration/energy drift too large   25.6524452006942     
+   1551.25820320037       split increased to            4  itime      956637 
+  itsplit           1
+ acceleration/energy drift too large   2.16828666529408     
+   44.6707268674785       split increased to            8  itime      956637 
+  itsplit           2
+ acceleration/energy drift too large   21.2081722872122     
+   297.396114249498       split increased to            2  itime      986672 
+  itsplit           1
+ acceleration/energy drift too large   8.48518344407397     
+   89.2680392034545       split increased to            2  itime      940478 
+  itsplit           1
+ acceleration/energy drift too large   11.7573043539954     
+   165.806730390708       split increased to            2  itime      965074 
+  itsplit           1
+ acceleration/energy drift too large   14.1428555082260     
+   113.618783892170       split increased to            2  itime      986882 
+  itsplit           1
+ acceleration/energy drift too large   4.24716564125084     
+   11.8604415785879       split increased to            2  itime      948935 
+  itsplit           1
+ acceleration/energy drift too large   8.54598969321150     
+   41.5549594389274       split increased to            2  itime      958178 
+  itsplit           1
+ acceleration/energy drift too large   4.65997608591955     
+   13.4883010927308       split increased to            2  itime      882204 
+  itsplit           1