$ ../bar.exe

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  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 The Tinker Thermodynamic Perturbation Utility Can :

    (1) Create BAR File with Perturbed Potential Energies
    (2) Compute Thermodynamic Values from Tinker BAR File

 Enter the Number of the Desired Choice :  1

 Enter the Coordinate Archive File Name :  a.xyz

 Enter Trajectory A Temperature in Degrees K [298] :  298

 Enter the Coordinate Archive File Name :  a.xyz

 Enter Trajectory B Temperature in Degrees K [298] :  298

 Initial Processing for Trajectory A :

       Completed       1 Coordinate Frames

 Initial Processing for Trajectory B :

       Completed       1 Coordinate Frames

 Potential Energy Values Written To :  a.bar

HP@LAPTOP-CLDEEOLQ /home/tinker/bin/test
$ ../bar.exe

     ######################################################################
   ##########################################################################
  ###                                                                      ###
 ###            TINKER  ---  Software Tools for Molecular Design            ###
 ##                                                                          ##
 ##                        Version 8.4  February 2018                        ##
 ##                                                                          ##
 ##               Copyright (c)  Jay William Ponder  1990-2018               ##
 ###                           All Rights Reserved                          ###
  ###                                                                      ###
  ### Special version for Windows (x86)                                    ###
  ### compiled by Alan Liska & Veronika Ruzickova                          ###
  ### on March 21, 2019                                                    ###
  ###                                                                      ###
   ##########################################################################
     ######################################################################


 The Tinker Thermodynamic Perturbation Utility Can :

    (1) Create BAR File with Perturbed Potential Energies
    (2) Compute Thermodynamic Values from Tinker BAR File

 Enter the Number of the Desired Choice :  2

 Enter Potential Energy BAR File Name :  a.xyz

 First & Last Frame and Step Increment for Trajectory A :  1,2,1

 First & Last Frame and Step Increment for Trajectory B :  1,2,1

 Simulation Trajectory A and Thermodynamic State 0 :


 Number of Frames :           8
 Temperature :             0.00

 Simulation Trajectory B and Thermodynamic State 1 :


 Number of Frames :           0
 Temperature :             0.00

 Free Energy Difference via FEP Method :

 Free Energy via Forward FEP                  NaN +/-      NaN Kcal/mol
 Free Energy via Backward FEP                 NaN +/-      NaN Kcal/mol

 Free Energy Difference via BAR Method :

 BAR Iteration   0                            NaN Kcal/mol
 BAR Iteration   1                            NaN Kcal/mol
 BAR Iteration   2                            NaN Kcal/mol
 BAR Iteration   3                            NaN Kcal/mol
 BAR Iteration   4                            NaN Kcal/mol
 BAR Iteration   5                            NaN Kcal/mol
 BAR Iteration   6                            NaN Kcal/mol
 BAR Iteration   7                            NaN Kcal/mol
 BAR Iteration   8                            NaN Kcal/mol
 BAR Iteration   9                            NaN Kcal/mol
 BAR Iteration  10                            NaN Kcal/mol
 BAR Iteration  11                            NaN Kcal/mol
 BAR Iteration  12                            NaN Kcal/mol
 BAR Iteration  13                            NaN Kcal/mol
 BAR Iteration  14                            NaN Kcal/mol
 BAR Iteration  15                            NaN Kcal/mol
 BAR Iteration  16                            NaN Kcal/mol
 BAR Iteration  17                            NaN Kcal/mol
 BAR Iteration  18                            NaN Kcal/mol
 BAR Iteration  19                            NaN Kcal/mol
 BAR Iteration  20                            NaN Kcal/mol
 BAR Iteration  21                            NaN Kcal/mol
 BAR Iteration  22                            NaN Kcal/mol
 BAR Iteration  23                            NaN Kcal/mol
 BAR Iteration  24                            NaN Kcal/mol
 BAR Iteration  25                            NaN Kcal/mol
 BAR Iteration  26                            NaN Kcal/mol
 BAR Iteration  27                            NaN Kcal/mol
 BAR Iteration  28                            NaN Kcal/mol
 BAR Iteration  29                            NaN Kcal/mol
 BAR Iteration  30                            NaN Kcal/mol
 BAR Iteration  31                            NaN Kcal/mol
 BAR Iteration  32                            NaN Kcal/mol
 BAR Iteration  33                            NaN Kcal/mol
 BAR Iteration  34                            NaN Kcal/mol
 BAR Iteration  35                            NaN Kcal/mol
 BAR Iteration  36                            NaN Kcal/mol
 BAR Iteration  37                            NaN Kcal/mol
 BAR Iteration  38                            NaN Kcal/mol
 BAR Iteration  39                            NaN Kcal/mol
 BAR Iteration  40                            NaN Kcal/mol
 BAR Iteration  41                            NaN Kcal/mol
 BAR Iteration  42                            NaN Kcal/mol
 BAR Iteration  43                            NaN Kcal/mol
 BAR Iteration  44                            NaN Kcal/mol
 BAR Iteration  45                            NaN Kcal/mol
 BAR Iteration  46                            NaN Kcal/mol
 BAR Iteration  47                            NaN Kcal/mol
 BAR Iteration  48                            NaN Kcal/mol
 BAR Iteration  49                            NaN Kcal/mol
 BAR Iteration  50                            NaN Kcal/mol
 BAR Iteration  51                            NaN Kcal/mol
 BAR Iteration  52                            NaN Kcal/mol
 BAR Iteration  53                            NaN Kcal/mol
 BAR Iteration  54                            NaN Kcal/mol
 BAR Iteration  55                            NaN Kcal/mol
 BAR Iteration  56                            NaN Kcal/mol
 BAR Iteration  57                            NaN Kcal/mol
 BAR Iteration  58                            NaN Kcal/mol
 BAR Iteration  59                            NaN Kcal/mol
 BAR Iteration  60                            NaN Kcal/mol
 BAR Iteration  61                            NaN Kcal/mol
 BAR Iteration  62                            NaN Kcal/mol
 BAR Iteration  63                            NaN Kcal/mol
 BAR Iteration  64                            NaN Kcal/mol
 BAR Iteration  65                            NaN Kcal/mol
 BAR Iteration  66                            NaN Kcal/mol
 BAR Iteration  67                            NaN Kcal/mol
 BAR Iteration  68                            NaN Kcal/mol
 BAR Iteration  69                            NaN Kcal/mol
 BAR Iteration  70                            NaN Kcal/mol
 BAR Iteration  71                            NaN Kcal/mol
 BAR Iteration  72                            NaN Kcal/mol
 BAR Iteration  73                            NaN Kcal/mol
 BAR Iteration  74                            NaN Kcal/mol
 BAR Iteration  75                            NaN Kcal/mol
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 BAR Iteration  78                            NaN Kcal/mol
 BAR Iteration  79                            NaN Kcal/mol
 BAR Iteration  80                            NaN Kcal/mol
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 BAR Iteration  84                            NaN Kcal/mol
 BAR Iteration  85                            NaN Kcal/mol
 BAR Iteration  86                            NaN Kcal/mol
 BAR Iteration  87                            NaN Kcal/mol
 BAR Iteration  88                            NaN Kcal/mol
 BAR Iteration  89                            NaN Kcal/mol
 BAR Iteration  90                            NaN Kcal/mol
 BAR Iteration  91                            NaN Kcal/mol
 BAR Iteration  92                            NaN Kcal/mol
 BAR Iteration  93                            NaN Kcal/mol
 BAR Iteration  94                            NaN Kcal/mol
 BAR Iteration  95                            NaN Kcal/mol
 BAR Iteration  96                            NaN Kcal/mol
 BAR Iteration  97                            NaN Kcal/mol
 BAR Iteration  98                            NaN Kcal/mol
 BAR Iteration  99                            NaN Kcal/mol
 BAR Iteration 100                            NaN Kcal/mol

 BAR Free Energy Estimate not Converged after 100 Iterations

 Tinker is Unable to Continue; Terminating the Current Calculation