Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
[unres.git] / examples / unres / new / MREMD / ff_1l2y / fort.2
1  Start reading THETA_PDB
2  End reading THETA_PDB
3  acceleration/energy drift too large   3.43185235855872     
4    16.2196086436649       split increased to            2  itime      613371 
5   itsplit           1
6  acceleration/energy drift too large   3.66504533433393     
7    16.2646124086846       split increased to            2  itime      754973 
8   itsplit           1
9  acceleration/energy drift too large   7.98091478068989     
10    41.0669583196819       split increased to            2  itime      850487 
11   itsplit           1
12  acceleration/energy drift too large   11.9514259433991     
13    262.197871675325       split increased to            2  itime      943100 
14   itsplit           1
15  acceleration/energy drift too large   3.82431546162743     
16    10.2319898340853       split increased to            2  itime      973009 
17   itsplit           1
18  acceleration/energy drift too large   10.1245218337678     
19    137.445161607889       split increased to            2  itime      979219 
20   itsplit           1
21  acceleration/energy drift too large   2.14968786460024     
22    25.7279519847659       split increased to            4  itime      979219 
23   itsplit           2
24  acceleration/energy drift too large   8.31037047261400     
25    22.8275131151792       split increased to            2  itime      959998 
26   itsplit           1
27  acceleration/energy drift too large   3.53229258083193     
28    19.4128791103592       split increased to            2  itime      992135 
29   itsplit           1
30  acceleration/energy drift too large   2.88306927095639     
31    21.2611731301506       split increased to            4  itime      859517 
32   itsplit           2
33  acceleration/energy drift too large   2.92264537993241     
34    10.2930575441355       split increased to            2  itime      937590 
35   itsplit           1
36  acceleration/energy drift too large   3.75304623592573     
37    22.3219390021736       split increased to            2  itime      757120 
38   itsplit           1
39  acceleration/energy drift too large   4.59284388361391     
40    22.2039424418907       split increased to            2  itime      823998 
41   itsplit           1
42  acceleration/energy drift too large   3.10461678611688     
43    12.1706051890230       split increased to            2  itime      846447 
44   itsplit           1
45  acceleration/energy drift too large   4.41156084454137     
46    22.1137014241566       split increased to            2  itime      937929 
47   itsplit           1
48  acceleration/energy drift too large   3.50039486112450     
49    15.7458458256481       split increased to            2  itime      944460 
50   itsplit           1
51  acceleration/energy drift too large   3.30883759229596     
52    10.6280068948011       split increased to            2  itime      933058 
53   itsplit           1
54  acceleration/energy drift too large   3.20356169837237     
55    11.0128739134781       split increased to            2  itime      964157 
56   itsplit           1
57  acceleration/energy drift too large   4.08691541912856     
58    11.3284357678194       split increased to            2  itime      966017 
59   itsplit           1
60  acceleration/energy drift too large   5.05482930949698     
61    35.9740035589400       split increased to            2  itime      992961 
62   itsplit           1
63  acceleration/energy drift too large   4.34413796683001     
64    27.2331580948769       split increased to            2  itime      937156 
65   itsplit           1
66  acceleration/energy drift too large   9.03779826550718     
67    45.6216772286557       split increased to            2  itime      977435 
68   itsplit           1
69  acceleration/energy drift too large   3.72624499567532     
70    26.2077680219199       split increased to            4  itime      959124 
71   itsplit           1
72  acceleration/energy drift too large   6.99293382727552     
73    30.6236565559636       split increased to            2  itime      982498 
74   itsplit           1
75  acceleration/energy drift too large   2.02334623342474     
76    10.6899899600383       split increased to            4  itime      982498 
77   itsplit           2
78  acceleration/energy drift too large   4.27348446188953     
79    23.8139989316928       split increased to            2  itime      856575 
80   itsplit           1
81  acceleration/energy drift too large   5.06908147335636     
82    14.3300662924125       split increased to            2  itime      949603 
83   itsplit           1
84  acceleration/energy drift too large   13.0761251223644     
85    102.769454457586       split increased to            2  itime      975182 
86   itsplit           1
87  acceleration/energy drift too large   5.09641366178938     
88    62.5190751148624       split increased to            4  itime      975182 
89   itsplit           1
90    
91    119.207570535317       split increased to            2  itime      945173 
92   itsplit           1
93  acceleration/energy drift too large   5.16012279221592     
94    20.0653589051293       split increased to            2  itime      959536 
95   itsplit           1
96  acceleration/energy drift too large   5.90106950681416     
97    25.3122291231396       split increased to            2  itime      959537 
98   itsplit           1
99  acceleration/energy drift too large   1.99528407423275     
100    10.4255266715436       split increased to            4  itime      959537 
101   itsplit           2
102  acceleration/energy drift too large   2.81448185751381     
103    12.0799811527520       split increased to            2  itime      997247 
104   itsplit           1