# Analysing data contained in file(s) ['lambda-0.0000/simfile.dat', 'lambda-0.1250/simfile.dat', 'lambda-0.2500/simfile.dat', 'lambda-0.3750/simfile.dat', 'lambda-0.5000/simfile.dat', 'lambda-0.6250/simfile.dat', 'lambda-0.7500/simfile.dat', 'lambda-0.8750/simfile.dat', 'lambda-1.0000/simfile.dat']
#Overlap matrix
0.8759 0.1235 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
0.1235 0.7405 0.1356 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000
0.0006 0.1356 0.7356 0.1272 0.0010 0.0000 0.0000 0.0000 0.0000
0.0000 0.0004 0.1272 0.7214 0.1498 0.0012 0.0000 0.0000 0.0000
0.0000 0.0000 0.0010 0.1498 0.7035 0.1446 0.0011 0.0000 0.0000
0.0000 0.0000 0.0000 0.0012 0.1446 0.7219 0.1320 0.0003 0.0000
0.0000 0.0000 0.0000 0.0000 0.0011 0.1320 0.7732 0.0936 0.0000
0.0000 0.0000 0.0000 0.0000 0.0000 0.0003 0.0936 0.8782 0.0279
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0279 0.9721
#PMF from MBAR in kcal/mol
0.0000 0.1250 -1.2863 0.0339
0.1250 0.2500 -0.8840 0.0317
0.2500 0.3750 -1.0675 0.0331
0.3750 0.5000 -0.8958 0.0294
0.5000 0.6250 -0.7876 0.0302
0.6250 0.7500 -0.3840 0.0322
0.7500 0.8750 0.6332 0.0405
0.8750 1.0000 3.9279 0.0800
#PMF from MBAR in kcal/mol
0.0000 0.0000 0.0000
0.1250 -1.2863 0.0339
0.2500 -2.1704 0.0502
0.3750 -3.2379 0.0631
0.5000 -4.1337 0.0722
0.6250 -4.9213 0.0805
0.7500 -5.3053 0.0887
0.8750 -4.6722 0.0994
1.0000 -0.7443 0.1290
#TI average gradients and standard deviation in kcal/mol
0.0000 -15.6132 14.4386
0.1250 -7.7204 12.9671
0.2500 -6.7482 13.9615
0.3750 -7.7277 12.8711
0.5000 -6.4801 12.2268
0.6250 -5.8734 12.9131
0.7500 -1.3139 14.6233
0.8750 16.0879 16.5902
1.0000 48.7234 23.0924
#PMF from TI in kcal/mol
0.0000 0.0000
0.1250 -1.4584
0.2500 -2.3626
0.3750 -3.2674
0.5000 -4.1554
0.6250 -4.9275
0.7500 -5.3767
0.8750 -4.4533
1.0000 -0.4026
#MBAR free energy difference in kcal/mol: 
-0.744313, 0.129034 
#TI free energy difference in kcal/mol: 
-0.402589