Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_1l2y / fort.2
1  Start reading THETA_PDB
2  End reading THETA_PDB
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39  acceleration/energy drift too large   6.22700722506562     
40    44.5137346493434       split increased to            2  itime      234715 
41   itsplit           1
42  acceleration/energy drift too large   6.86814035347406     
43    12.4746903563092       split increased to            2  itime      514594 
44   itsplit           1
45  acceleration/energy drift too large   6.55925793931436     
46    15.8656739496644       split increased to            2  itime      653285 
47   itsplit           1
48  acceleration/energy drift too large   21.9080212609904     
49    313.864278107703       split increased to            2  itime      716644 
50   itsplit           1
51  acceleration/energy drift too large   7.05820437593023     
52    65.2498780261722       split increased to            2  itime      766874 
53   itsplit           1
54  acceleration/energy drift too large   3.27399071955341     
55    11.2118420753555       split increased to            2  itime      766875 
56   itsplit           1
57  acceleration/energy drift too large   1.65659624160402     
58    12.8042137151367       split increased to            4  itime      766875 
59   itsplit           1
60  acceleration/energy drift too large   3.73456721524056     
61    16.0028892511076       split increased to            2  itime      774313 
62   itsplit           1
63  acceleration/energy drift too large   31.2190662301148     
64    1043.16119124700       split increased to            2  itime      997277 
65   itsplit           1
66  acceleration/energy drift too large   4.45187640165009     
67    25.3192539827523       split increased to            2  itime      805374 
68   itsplit           1
69  acceleration/energy drift too large   2.68717091115819     
70    36.2762846456559       split increased to            4  itime      805374 
71   itsplit           1
72  acceleration/energy drift too large   8.91951026538456     
73    111.515595256629       split increased to            2  itime      821660 
74   itsplit           1
75  acceleration/energy drift too large   7.49222623976741     
76    75.0988053069829       split increased to            2  itime      821661 
77   itsplit           1
78  acceleration/energy drift too large   1.99475931907040     
79    18.8634159986581       split increased to            4  itime      821661 
80   itsplit           1
81  acceleration/energy drift too large   5.16826042460590     
82    14.6364245545982       split increased to            2  itime      956637 
83   itsplit           1
84  acceleration/energy drift too large   25.6524452006942     
85    1551.25820320037       split increased to            4  itime      956637 
86   itsplit           1
87  acceleration/energy drift too large   2.16828666529408     
88    44.6707268674785       split increased to            8  itime      956637 
89   itsplit           2
90  acceleration/energy drift too large   21.2081722872122     
91    297.396114249498       split increased to            2  itime      986672 
92   itsplit           1
93  acceleration/energy drift too large   8.48518344407397     
94    89.2680392034545       split increased to            2  itime      940478 
95   itsplit           1
96  acceleration/energy drift too large   11.7573043539954     
97    165.806730390708       split increased to            2  itime      965074 
98   itsplit           1
99  acceleration/energy drift too large   14.1428555082260     
100    113.618783892170       split increased to            2  itime      986882 
101   itsplit           1
102  acceleration/energy drift too large   4.24716564125084     
103    11.8604415785879       split increased to            2  itime      948935 
104   itsplit           1
105  acceleration/energy drift too large   8.54598969321150     
106    41.5549594389274       split increased to            2  itime      958178 
107   itsplit           1
108  acceleration/energy drift too large   4.65997608591955     
109    13.4883010927308       split increased to            2  itime      882204 
110   itsplit           1