Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

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

diff --git a/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2 b/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2
new file mode 100644 (file)
index 0000000..d6eb473
--- /dev/null
+++ b/examples/unres/new/REMD/Berendsen/ff_1l2y/fort.2
@@ -0,0 +1,107 @@
+ Start reading THETA_PDB
+ End reading THETA_PDB
+ acceleration/energy drift too large   3.89192120024235     
+   14.2904482808465       split increased to            2  itime      854625 
+  itsplit           1
+ acceleration/energy drift too large   6852425.95325829     
+   77233227168537.3       split increased to            2  itime      971941 
+  itsplit           1
+ acceleration/energy drift too large   28.4654367707071     
+   514.572581093606       split increased to            2  itime      633530 
+  itsplit           1
+ acceleration/energy drift too large   4.55871456904412     
+   49.1177789702876       split increased to            4  itime      633530 
+  itsplit           2
+ acceleration/energy drift too large   1.55417296720979     
+   22.9158358703738       split increased to            8  itime      633530 
+  itsplit           4
+ acceleration/energy drift too large   3.59883365407203     
+   10.2000534791969       split increased to            2  itime      651379 
+  itsplit           1
+ acceleration/energy drift too large   2.69770716535807     
+   12.0173889339615       split increased to            2  itime      694532 
+  itsplit           1
+ acceleration/energy drift too large   39.3846204808527     
+   446.228464838396       split increased to            2  itime      764424 
+  itsplit           1
+ acceleration/energy drift too large   18.7394782800628     
+   221.275900336282       split increased to            2  itime      866179 
+  itsplit           1
+ acceleration/energy drift too large   5.46009875427643     
+   71.1763629561686       split increased to            4  itime      866179 
+  itsplit           2
+ acceleration/energy drift too large   5.83758142901601     
+   18.7570057195632       split increased to            2  itime      892652 
+  itsplit           1
+ acceleration/energy drift too large   3.09431993835116     
+   11.7598479488048       split increased to            2  itime      912915 
+  itsplit           1
+ acceleration/energy drift too large   4.41675085064631     
+   11.1894884524705       split increased to            2  itime      975320 
+  itsplit           1
+ acceleration/energy drift too large   3.07764809476539     
+   12.4004434911377       split increased to            2  itime      945230 
+  itsplit           1
+ acceleration/energy drift too large   4.05792986800913     
+   11.2848551447222       split increased to            2  itime      990606 
+  itsplit           1
+ acceleration/energy drift too large   6.40805600107911     
+   28.3314889319529       split increased to            2  itime      946639 
+  itsplit           1
+ acceleration/energy drift too large   2.18091603871295     
+   12.8436439322193       split increased to            4  itime      946639 
+  itsplit           2
+ acceleration/energy drift too large   5.08187277557952     
+   17.7485150630721       split increased to            2  itime      756904 
+  itsplit           1
+ acceleration/energy drift too large   12.0280681185532     
+   88.2027894720310       split increased to            2  itime      841944 
+  itsplit           1
+ acceleration/energy drift too large   3.16609398309634     
+   25.0272004044524       split increased to            4  itime      841944 
+  itsplit           2
+ acceleration/energy drift too large   3.50532492412192     
+   19.9306294620689       split increased to            2  itime      856782 
+  itsplit           1
+ acceleration/energy drift too large   1.40208916544824     
+   11.6633749567146       split increased to            4  itime      856782 
+  itsplit           2
+ acceleration/energy drift too large   10.6303385101661     
+   65.4207933003555       split increased to            2  itime      879307 
+  itsplit           1
+ acceleration/energy drift too large   2.15233654381790     
+   10.4227628369772       split increased to            4  itime      879307 
+  itsplit           2
+ acceleration/energy drift too large   4.24583956850584     
+   11.5115876950374       split increased to            2  itime      937341 
+  itsplit           1
+ acceleration/energy drift too large   3.52997188039368     
+   15.6323869591640       split increased to            2  itime      965180 
+  itsplit           1
+ acceleration/energy drift too large   4.11441125846978     
+   11.0856492874418       split increased to            2  itime      765219 
+  itsplit           1
+ acceleration/energy drift too large   3.95201920143319     
+   26.8881556863581       split increased to            2  itime      811854 
+  itsplit           1
+ acceleration/energy drift too large   1.75310381761258     
+   23.5399668101155       split increased to            4  itime      811854 
+  itsplit           1
+ acceleration/energy drift too large   6.59689120115111     
+   18.4449582572689       split increased to            2  itime      870512 
+  itsplit           1
+ acceleration/energy drift too large   15.4672472806747     
+   160.929919062918       split increased to            2  itime      884130 
+  itsplit           1
+ acceleration/energy drift too large   9.71537563103355     
+   50.4775603782926       split increased to            2  itime      894989 
+  itsplit           1
+ acceleration/energy drift too large   8.27460370511524     
+   44.7234299848978       split increased to            2  itime      981226 
+  itsplit           1
+ acceleration/energy drift too large   5.27434112800032     
+   71.1965635243485       split increased to            4  itime      981226 
+  itsplit           1
+ acceleration/energy drift too large   1.80192804656535     
+   30.4539420527145       split increased to            8  itime      981226 
+  itsplit           3