These tests check the mdrun results for cases where any of the enforced rotation potentials
(see the corresponding section in the manual) are switched on.

For a simple rotation group of 4 atoms with these atomic positions (.gro format)

    4
    1AR      AR    1   1.500   1.500   3.200
    2AR      AR    2   3.900   5.800   3.500
    3AR      AR    3   4.700   6.200   2.100
    4AR      AR    4   5.500   4.000   6.600
    8.000 8.000 8.000

and these positions of the reference

    4
    1AR      AR    1   1.000   2.000   3.000
    2AR      AR    2   4.000   5.500   5.000
    3AR      AR    3   4.500   6.000   2.500
    4AR      AR    4   5.000   4.500   7.000
    8.000 8.000 8.000

the tests in the directories iso, iso-pf, pm, pm-pf, rm, rm-pf, rm2, rm2-pf, 
flex, flex-t, flex2, and flex2-t check the forces from each available
rotation potential for a simple 5 degree rotation against the results obtained
from a Mathematica notebook. Since the cutoffs are small, the forces calculated
at step zero will stem exclusively from the rotation potential. The forces
in the first frame of the .trr output files should therefore be identical to
the Mathematica results. These are listed here for the 12 rotation potentials.
The values for the potential energies and torques are also given; these can be 
compared to the values in the rotation.xvg output file.

V_iso:
f0 =   -131.51692692    127.41828586    -54.439881601
f1 =     90.187124112  -258.41723581   1208.8824492
f2 =   -410.64765335   -162.01496986    484.89253102
f3 =   -522.65423367    810.87229117    540.30321711
pot. energy =   1567.0459109
torque      =  -1033.7307213

V_iso-pf:
f0 =    -34.053757936    75.632448726  -272.40371317
f1 =    285.11346208   -361.98891008    772.95478603
f2 =   -118.2581464    -317.37248127   -168.99896369
f3 =   -132.80155774    603.72894263   -331.55210917
pot. energy =    820.93248453
torque      =   -123.87809352

V_pm:
f0 =   -128.65978406   133.13257158    -45.868453029
f1 =   -138.38430446  -715.56009296    523.16816346
f2 =   -462.07622478  -264.87211272    330.60681674
f3 =   -716.93994796   422.3008626     -42.553925743
pot. energy =    929.18876803 
torque      =  -1033.7307213

V_pm-pf:
f0 =     15.946242064   175.63244873  -122.40371317 
f1 =   150.82774779    -630.56033866   370.09764317
f2 =   -28.2581464     -137.37248127   101.00103631
f3 =  -138.51584346     592.3003712   -348.69496631
pot. energy =    572.0039131
torque      =  -123.87809352

V_rm:
f0 =   -132.43053309    130.32663443   -42.740911919
f1 =    335.27526601   -551.67578239   256.02543292
f2 =   -315.35595461    130.96336469    17.809741744
f3 =   -577.37525264    -45.713857761  222.93432272
pot. energy =    515.95322462
torque      =  -1595.3684936

V_rm-pf:
f0 =    -60.682586583   131.62304711   -67.521169211
f1 =   -214.87938414   -191.7299335    199.44641705
f2 =     97.203055624    23.46213548   -48.042442195
f3 =    178.3589151      36.644750908  -83.88280564
pot. energy =    143.15040559
torque      =    165.78560092

V_rm2:
f0 =   -143.73628978    108.23867091   -24.247017347
f1 =     31.674798399    -2.5514862071  -8.8572753284
f2 =   -189.23935665    102.24209625    -5.0816119495
f3 =   -387.59084854    -89.705802628  189.00081793
pot. energy =    196.69333887
torque      =  -1189.9052573

V_rm2-pf:
f0 =    -72.570497152    79.439407569  -28.769439329
f1 =    -30.440888716   -27.798490561   28.679289946
f2 =     31.555426196   -23.378441432    5.0671522227
f3 =     71.455959672   -28.262475577   -4.9770028397
pot. energy =     42.345322053
torque      =   -232.66325156

V_flex:
f0 =    -42.305472698    25.397494447  -22.79279844
f1 =    243.49534318   -260.46845668    99.087010409
f2 =    -71.573582075   200.8909235     79.762542508
f3 =     12.712812823   318.83824119   270.93054921
pot. energy =    255.58915604
torque      =   -111.76617807

V_flex-t:
f0 =    -36.90697396     27.986236644  -30.97153705
f1 =    127.85407917   -146.63332095   140.35716757
f2 =    -92.458053794   120.04725225    -7.5156601118
f3 =     73.958305837   143.49454656   115.47210135
pot. energy =    114.13605288
torque      =    186.27588869

V_flex2:
f0 =    -41.50124682      8.0976554981 -28.190729908
f1 =    182.26944646   -173.94075441   112.45880245
f2 =   -125.42736594    164.47230806   -68.461771568
f3 =      7.8675958351   47.787649935   53.818987649
pot. energy =    170.6496809
torque      =    142.13808477

V_flex2-t:
f0 =    -50.140956713     6.6349690252 -40.465489987
f1 =    156.89909499   -170.72723015   140.66803971
f2 =   -127.41036756    173.38786648   -52.41251982
f3 =     48.021017959    45.441971984   34.316336103
pot. energy =    101.11490074
torque      =    270.30162398




