Reading data/trptest.1.xvg...
Reading data/trptest.2.xvg...
Reading data/trptest.3.xvg...
Reading data/trptest.4.xvg...
Reading data/trptest.5.xvg...
Reading data/trptest.6.xvg...
Reading data/trptest.7.xvg...
Reading data/trptest.8.xvg...
Reading data/trptest.9.xvg...
number of uncorrelated samples:
[135 136 132 135 134 134 134 128 135]

Computing free energy differences...
Using embedded C++ helper code.
K = 9, L = 9, N_max = 2000, total samples = 1203
N_k = 
[135 136 132 135 134 134 134 128 135]
Initializing free energies to zero.
Initial dimensionless free energies
f_k = 
[ 0.  0.  0.  0.  0.  0.  0.  0.  0.]
MBAR: Computing dimensionless free energies by iteration.  This may take from seconds to minutes, depending on the quantity of data...
Self-consistent iteration 0
current f_k =
[ 0.          2.11078078  1.51744531  1.25461592  1.80469954  1.83137689
  1.55246735  0.63581871  0.16194187]
relative max_delta = 1.000000e+00
Determining dimensionless free energies by Newton-Raphson iteration.
There are 9 states with samples.
Newton-Raphson iteration 0
current f_k for states with samples =
  0.0000 
  2.5066 
  2.2122 
  2.7607 
  3.3449 
  3.1543 
  2.6413 
  1.4679 
  0.9243 
relative max_delta = 4.604629e-01
Newton-Raphson iteration 1
current f_k for states with samples =
  0.0000 
  6.2849 
  8.7369 
 16.9885 
 18.1745 
 16.1131 
 13.5471 
 10.1366 
  8.9777 
relative max_delta = 8.159562e-01
Newton-Raphson iteration 2
current f_k for states with samples =
  0.0000 
  7.3324 
 10.4579 
 17.0580 
 18.7039 
 16.4486 
 14.0289 
 10.9402 
  9.7834 
relative max_delta = 9.201095e-02
Newton-Raphson iteration 3
current f_k for states with samples =
  0.0000 
  7.3307 
 10.3856 
 16.6341 
 18.2661 
 16.0087 
 13.5929 
 10.5065 
  9.3541 
relative max_delta = 2.408310e-02
Newton-Raphson iteration 4
current f_k for states with samples =
  0.0000 
  7.3305 
 10.3856 
 16.6100 
 18.2420 
 15.9847 
 13.5688 
 10.4824 
  9.3300 
relative max_delta = 1.318594e-03
Newton-Raphson iteration 5
current f_k for states with samples =
  0.0000 
  7.3305 
 10.3856 
 16.6099 
 18.2419 
 15.9846 
 13.5687 
 10.4823 
  9.3299 
relative max_delta = 5.219042e-06
Newton-Raphson iteration 6
current f_k for states with samples =
  0.0000 
  7.3305 
 10.3856 
 16.6099 
 18.2419 
 15.9846 
 13.5687 
 10.4823 
  9.3299 
relative max_delta = 7.676911e-11
Converged to tolerance of 7.676911e-11 in 7 Newton-Raphson iterations.
Recomputing all free energies...
current f_k for all states =
  0.0000 
  7.3305 
 10.3856 
 16.6099 
 18.2419 
 15.9846 
 13.5687 
 10.4823 
  9.3299 
Final dimensionless free energies
f_k = 
[  0.           7.33053986  10.38564447  16.60991962  18.24191679
  15.98457359  13.56872747  10.48231691   9.32994806]
Computing covariance matrix...
Deltaf_ij:
[[  0.           7.33053986  10.38564447  16.60991962  18.24191679
   15.98457359  13.56872747  10.48231691   9.32994806]
 [ -7.33053986   0.           3.05510461   9.27937976  10.91137693
    8.65403373   6.23818761   3.15177705   1.99940821]
 [-10.38564447  -3.05510461   0.           6.22427515   7.85627232
    5.59892912   3.183083     0.09667244  -1.05569641]
 [-16.60991962  -9.27937976  -6.22427515   0.           1.63199717
   -0.62534602  -3.04119215  -6.12760271  -7.27997155]
 [-18.24191679 -10.91137693  -7.85627232  -1.63199717   0.          -2.2573432
   -4.67318932  -7.75959988  -8.91196873]
 [-15.98457359  -8.65403373  -5.59892912   0.62534602   2.2573432    0.
   -2.41584612  -5.50225668  -6.65462553]
 [-13.56872747  -6.23818761  -3.183083     3.04119215   4.67318932
    2.41584612   0.          -3.08641056  -4.23877941]
 [-10.48231691  -3.15177705  -0.09667244   6.12760271   7.75959988
    5.50225668   3.08641056   0.          -1.15236885]
 [ -9.32994806  -1.99940821   1.05569641   7.27997155   8.91196873
    6.65462553   4.23877941   1.15236885   0.        ]]
dDeltaf_ij:
[[ 0.          0.17162468  0.27509749  0.36060626  0.44860174  0.49987476
   0.51739193  0.527958    0.53237093]
 [ 0.17162468  0.          0.18075813  0.29605914  0.39857463  0.45551394
   0.47467103  0.48616646  0.49095517]
 [ 0.27509749  0.18075813  0.          0.24930864  0.36521828  0.42663244
   0.44702894  0.45921685  0.4642836 ]
 [ 0.36060626  0.29605914  0.24930864  0.          0.24000997  0.32592534
   0.35220317  0.36754903  0.37386019]
 [ 0.44860174  0.39857463  0.36521828  0.24000997  0.          0.1881121
   0.23060166  0.25343186  0.26250062]
 [ 0.49987476  0.45551394  0.42663244  0.32592534  0.1881121   0.
   0.08299279  0.13134563  0.14825844]
 [ 0.51739193  0.47467103  0.44702894  0.35220317  0.23060166  0.08299279
   0.          0.06273332  0.08848403]
 [ 0.527958    0.48616646  0.45921685  0.36754903  0.25343186  0.13134563
   0.06273332  0.          0.03292076]
 [ 0.53237093  0.49095517  0.4642836   0.37386019  0.26250062  0.14825844
   0.08848403  0.03292076  0.        ]]
                         trptest      21.95888013 +-       1.25298333 kJ/mol

                           TOTAL      21.95888013 +-       1.25298333 kJ/mol