New examples based on current version of UNRES.
[unres.git] / examples / unres / new / MREMD / ff_1l2y / fort.2
index 0d079b9..c6b6e0a 100644 (file)
  Start reading THETA_PDB
  End reading THETA_PDB
- acceleration/energy drift too large   3.43185235855872     
-   16.2196086436649       split increased to            2  itime      613371 
+ acceleration/energy drift too large   8.75469407693134     
+   100.947155014428       split increased to            2  itime      970413 
   itsplit           1
- acceleration/energy drift too large   3.66504533433393     
-   16.2646124086846       split increased to            2  itime      754973 
+ acceleration/energy drift too large   11.9813494885241     
+   151.023155270513       split increased to            2  itime      974224 
   itsplit           1
- acceleration/energy drift too large   7.98091478068989     
-   41.0669583196819       split increased to            2  itime      850487 
+ acceleration/energy drift too large   6.34134188119507     
+   33.8591387762422       split increased to            2  itime      849330 
   itsplit           1
- acceleration/energy drift too large   11.9514259433991     
-   262.197871675325       split increased to            2  itime      943100 
+ acceleration/energy drift too large   10.4386757972384     
+   197.930632539386       split increased to            2  itime      998141 
   itsplit           1
- acceleration/energy drift too large   3.82431546162743     
-   10.2319898340853       split increased to            2  itime      973009 
+ acceleration/energy drift too large   3.29672929989142     
+   75.2614666762338       split increased to            4  itime      998141 
+  itsplit           2
+ acceleration/energy drift too large   2.36653778137160     
+   144.675440167035       split increased to            8  itime      998141 
+  itsplit           4
+ acceleration/energy drift too large   1.12808537973992     
+   126.840116141663       split increased to           16  itime      998141 
+  itsplit           7
+ acceleration/energy drift too large  0.643283558309138     
+   165.191761588105       split increased to           32  itime      998141 
+  itsplit          13
+ acceleration/energy drift too large   10.3943279509865     
+   60.3414655409778       split increased to            2  itime      951163 
+  itsplit           1
+ acceleration/energy drift too large   3.26318326765345     
+   22.1400423103924       split increased to            4  itime      951163 
+  itsplit           2
+ acceleration/energy drift too large   4.46702446482154     
+   12.9174595938524       split increased to            2  itime      841267 
   itsplit           1
- acceleration/energy drift too large   10.1245218337678     
-   137.445161607889       split increased to            2  itime      979219 
+ acceleration/energy drift too large   8.71015825849746     
+   45.9740270072640       split increased to            2  itime      853135 
   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 
+ acceleration/energy drift too large   5.22578093845543     
+   36.3963033292437       split increased to            2  itime      935778 
   itsplit           1
- acceleration/energy drift too large   3.53229258083193     
-   19.4128791103592       split increased to            2  itime      992135 
+ acceleration/energy drift too large   17.2977275225635     
+   300.448750398714       split increased to            2  itime      968761 
   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 
+ acceleration/energy drift too large   6.92954827779004     
+   99.2081768941197       split increased to            2  itime      930381 
   itsplit           1
- acceleration/energy drift too large   3.75304623592573     
-   22.3219390021736       split increased to            2  itime      757120 
+ acceleration/energy drift too large   21.9400879393517     
+   300.553629084162       split increased to            2  itime      944336 
   itsplit           1
- acceleration/energy drift too large   4.59284388361391     
-   22.2039424418907       split increased to            2  itime      823998 
+ acceleration/energy drift too large   2.85510125955739     
+   11.3635262600859       split increased to            2  itime      977572 
   itsplit           1
- acceleration/energy drift too large   3.10461678611688     
-   12.1706051890230       split increased to            2  itime      846447 
+ acceleration/energy drift too large   3.51417377277529     
+   10.8713790550659       split increased to            2  itime      977573 
   itsplit           1
- acceleration/energy drift too large   4.41156084454137     
-   22.1137014241566       split increased to            2  itime      937929 
+ acceleration/energy drift too large   5.10982782323423     
+   16.9370203541357       split increased to            2  itime      911018 
   itsplit           1
- acceleration/energy drift too large   3.50039486112450     
-   15.7458458256481       split increased to            2  itime      944460 
+ acceleration/energy drift too large   17.8509240365023     
+   200.471178398803       split increased to            2  itime      925235 
   itsplit           1
- acceleration/energy drift too large   3.30883759229596     
-   10.6280068948011       split increased to            2  itime      933058 
+ acceleration/energy drift too large   8.91893850848231     
+   51.5063648092223       split increased to            2  itime      961803 
   itsplit           1
- acceleration/energy drift too large   3.20356169837237     
-   11.0128739134781       split increased to            2  itime      964157 
+ acceleration/energy drift too large   4.78009519824987     
+   14.7585639383405       split increased to            2  itime      993826 
   itsplit           1
- acceleration/energy drift too large   4.08691541912856     
-   11.3284357678194       split increased to            2  itime      966017 
+ acceleration/energy drift too large   4.69783633685660     
+   19.9091272165687       split increased to            2  itime      987661 
   itsplit           1
- acceleration/energy drift too large   5.05482930949698     
-   35.9740035589400       split increased to            2  itime      992961 
+ acceleration/energy drift too large   4.07146496621216     
+   10.8616089705807       split increased to            2  itime      982655 
   itsplit           1
- acceleration/energy drift too large   4.34413796683001     
-   27.2331580948769       split increased to            2  itime      937156 
+ acceleration/energy drift too large   3.49986118817264     
+   24.2524197529414       split increased to            2  itime      976295 
   itsplit           1
- acceleration/energy drift too large   9.03779826550718     
-   45.6216772286557       split increased to            2  itime      977435 
+ acceleration/energy drift too large   9.62427395120321     
+   602.413168794923       split increased to            4  itime      976295 
   itsplit           1
- acceleration/energy drift too large   3.72624499567532     
-   26.2077680219199       split increased to            4  itime      959124 
+ acceleration/energy drift too large   1.20185405427270     
+   37.6142270255815       split increased to            8  itime      976295 
   itsplit           1
- acceleration/energy drift too large   6.99293382727552     
-   30.6236565559636       split increased to            2  itime      982498 
+ acceleration/energy drift too large   3.66139523296962     
+   18.8311473470532       split increased to            2  itime      981840 
   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 
+ acceleration/energy drift too large   5.63185918335395     
+   157.601376597025       split increased to            4  itime      688199 
   itsplit           1
- acceleration/energy drift too large   5.06908147335636     
-   14.3300662924125       split increased to            2  itime      949603 
+ acceleration/energy drift too large   1.19767870166086     
+   30.2336531567217       split increased to            8  itime      688199 
   itsplit           1
- acceleration/energy drift too large   13.0761251223644     
-   102.769454457586       split increased to            2  itime      975182 
+ acceleration/energy drift too large   7.13125651258700     
+   17.4197684174688       split increased to            2  itime      708828 
   itsplit           1
- acceleration/energy drift too large   5.09641366178938     
-   62.5190751148624       split increased to            4  itime      975182 
+ acceleration/energy drift too large   6.67624630468350     
+   60.0565026510500       split increased to            2  itime      818987 
   itsplit           1
-   
-   119.207570535317       split increased to            2  itime      945173 
+ acceleration/energy drift too large   2.07847064010115     
+   21.6817010181585       split increased to            4  itime      818987 
+  itsplit           2
+ acceleration/energy drift too large   4.61985170896771     
+   11.7915987073102       split increased to            2  itime      835065 
   itsplit           1
- acceleration/energy drift too large   5.16012279221592     
-   20.0653589051293       split increased to            2  itime      959536 
+ acceleration/energy drift too large   7.26178113403994     
+   33.7065992004155       split increased to            2  itime      934007 
   itsplit           1
- acceleration/energy drift too large   5.90106950681416     
-   25.3122291231396       split increased to            2  itime      959537 
+ acceleration/energy drift too large   4.97149663568859     
+   26.0825181221898       split increased to            2  itime      973247 
   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 
+ acceleration/energy drift too large   7.32517334595591     
+   29.3609714595789       split increased to            2  itime      986402 
   itsplit           1