examples/unres/new/REMD/Nose-Hoover/ff_1l2y/fort.2

   1  Start reading THETA_PDB
   2  End reading THETA_PDB
   3 Nose-Hoover bath calculation
   4 Mol.Phys. 87 1117 (1996) Martyna et al.
   5 NVT-XI-RESPA algorithm
   6                                                 Temperature: 300.00000
   7                                                          Q =   1.00000
   8  H0=    216.062823208447
   9  acceleration/energy drift too large   60509.0840965407
  10    2009862066.08707       split increased to            2  itime      615542
  11   itsplit           1
  12  acceleration/energy drift too large   8.36108835545887
  13    10.3419285707564       split increased to            2  itime      992532
  14   itsplit           1
  15  acceleration/energy drift too large   10.5635007751565
  16    19.4216957429601       split increased to            2  itime      766305
  17   itsplit           1
  18  acceleration/energy drift too large   9.70781526288116
  19    14.4196992513867       split increased to            2  itime      793876
  20   itsplit           1
  21  acceleration/energy drift too large   16.5925673447319
  22    76.5976289448367       split increased to            2  itime      829316
  23   itsplit           1