Energy component analysis for GROMACS vs. TINKER, Oct 25.
This shows that the small remaining errors in the energy come from (mainly)
the improper torsions (which are ambiguous) and the charges (probably has to do with
conversion factors.)

- Bonds - 
 1.530800   1.53079991
 3.397460   3.39745984
 3.587860   3.58786029
 3.906699   3.90669950
 3.088473   3.08847336
 2.595626   2.59562607
 3.468117   3.46811685
 3.135460   3.13546031
 3.495490   3.49548954
 2.218727   2.21872683
               
- Angles -
  6.580449    6.580449 
  8.548697    8.548697 
  8.052436    8.052436 
  6.086347    6.086347 
 13.260743    13.260743
 12.040688    12.040688
  7.722827    7.722827 
  9.005803    9.005803 
 21.131875    21.131875
 12.929701    12.929701

- Proper Torsions -
80.379714   80.380038
94.843864   94.844884
85.607308   85.609824
92.233982   92.235406
83.240131   83.241030
89.173020   89.173893
88.286837   88.287442
94.626549   94.627740
90.663233   90.665480
97.836568   97.837936

- Improper Torsions -
  0.371149   0.358780
  0.337394   0.324404
  0.180302   0.168499
  0.240413   0.229084
  1.165406   1.085787
  0.815555   0.766352
  0.322354   0.293766
  0.527933   0.493295
  2.660751   2.645537
  3.798881   3.741056

- Lennard-Jones -
 25.737847 25.738096
 19.465059 19.465283
 12.382837 12.383068
 4.426368  4.426560
 15.160447 15.160801
 29.733785 29.734112
 28.789540 28.789757
 32.243304 32.243517
 17.212494 17.212635
 26.602162 26.602402

- Coulomb -
-300.854362   -300.880319
-201.031730   -201.054721
-285.320437   -285.346447
-198.984145   -199.007135
-278.202829   -278.228590
-287.998088   -288.023881
-311.746824   -311.773994
-328.953936   -328.981186
-257.132460   -257.156955
-280.456671   -280.482612
