Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MREMD / ff_1l2y / fort.2

diff --git a/examples/unres/new/MREMD/ff_1l2y/fort.2 b/examples/unres/new/MREMD/ff_1l2y/fort.2
new file mode 100644 (file)
index 0000000..0d079b9
--- /dev/null
+++ b/examples/unres/new/MREMD/ff_1l2y/fort.2
@@ -0,0 +1,104 @@
+ Start reading THETA_PDB
+ End reading THETA_PDB
+ acceleration/energy drift too large   3.43185235855872     
+   16.2196086436649       split increased to            2  itime      613371 
+  itsplit           1
+ acceleration/energy drift too large   3.66504533433393     
+   16.2646124086846       split increased to            2  itime      754973 
+  itsplit           1
+ acceleration/energy drift too large   7.98091478068989     
+   41.0669583196819       split increased to            2  itime      850487 
+  itsplit           1
+ acceleration/energy drift too large   11.9514259433991     
+   262.197871675325       split increased to            2  itime      943100 
+  itsplit           1
+ acceleration/energy drift too large   3.82431546162743     
+   10.2319898340853       split increased to            2  itime      973009 
+  itsplit           1
+ acceleration/energy drift too large   10.1245218337678     
+   137.445161607889       split increased to            2  itime      979219 
+  itsplit           1
+ acceleration/energy drift too large   2.14968786460024     
+   25.7279519847659       split increased to            4  itime      979219 
+  itsplit           2
+ acceleration/energy drift too large   8.31037047261400     
+   22.8275131151792       split increased to            2  itime      959998 
+  itsplit           1
+ acceleration/energy drift too large   3.53229258083193     
+   19.4128791103592       split increased to            2  itime      992135 
+  itsplit           1
+ acceleration/energy drift too large   2.88306927095639     
+   21.2611731301506       split increased to            4  itime      859517 
+  itsplit           2
+ acceleration/energy drift too large   2.92264537993241     
+   10.2930575441355       split increased to            2  itime      937590 
+  itsplit           1
+ acceleration/energy drift too large   3.75304623592573     
+   22.3219390021736       split increased to            2  itime      757120 
+  itsplit           1
+ acceleration/energy drift too large   4.59284388361391     
+   22.2039424418907       split increased to            2  itime      823998 
+  itsplit           1
+ acceleration/energy drift too large   3.10461678611688     
+   12.1706051890230       split increased to            2  itime      846447 
+  itsplit           1
+ acceleration/energy drift too large   4.41156084454137     
+   22.1137014241566       split increased to            2  itime      937929 
+  itsplit           1
+ acceleration/energy drift too large   3.50039486112450     
+   15.7458458256481       split increased to            2  itime      944460 
+  itsplit           1
+ acceleration/energy drift too large   3.30883759229596     
+   10.6280068948011       split increased to            2  itime      933058 
+  itsplit           1
+ acceleration/energy drift too large   3.20356169837237     
+   11.0128739134781       split increased to            2  itime      964157 
+  itsplit           1
+ acceleration/energy drift too large   4.08691541912856     
+   11.3284357678194       split increased to            2  itime      966017 
+  itsplit           1
+ acceleration/energy drift too large   5.05482930949698     
+   35.9740035589400       split increased to            2  itime      992961 
+  itsplit           1
+ acceleration/energy drift too large   4.34413796683001     
+   27.2331580948769       split increased to            2  itime      937156 
+  itsplit           1
+ acceleration/energy drift too large   9.03779826550718     
+   45.6216772286557       split increased to            2  itime      977435 
+  itsplit           1
+ acceleration/energy drift too large   3.72624499567532     
+   26.2077680219199       split increased to            4  itime      959124 
+  itsplit           1
+ acceleration/energy drift too large   6.99293382727552     
+   30.6236565559636       split increased to            2  itime      982498 
+  itsplit           1
+ acceleration/energy drift too large   2.02334623342474     
+   10.6899899600383       split increased to            4  itime      982498 
+  itsplit           2
+ acceleration/energy drift too large   4.27348446188953     
+   23.8139989316928       split increased to            2  itime      856575 
+  itsplit           1
+ acceleration/energy drift too large   5.06908147335636     
+   14.3300662924125       split increased to            2  itime      949603 
+  itsplit           1
+ acceleration/energy drift too large   13.0761251223644     
+   102.769454457586       split increased to            2  itime      975182 
+  itsplit           1
+ acceleration/energy drift too large   5.09641366178938     
+   62.5190751148624       split increased to            4  itime      975182 
+  itsplit           1
+   
+   119.207570535317       split increased to            2  itime      945173 
+  itsplit           1
+ acceleration/energy drift too large   5.16012279221592     
+   20.0653589051293       split increased to            2  itime      959536 
+  itsplit           1
+ acceleration/energy drift too large   5.90106950681416     
+   25.3122291231396       split increased to            2  itime      959537 
+  itsplit           1
+ acceleration/energy drift too large   1.99528407423275     
+   10.4255266715436       split increased to            4  itime      959537 
+  itsplit           2
+ acceleration/energy drift too large   2.81448185751381     
+   12.0799811527520       split increased to            2  itime      997247 
+  itsplit           1