Testing 1a.in...
           Tstep    =       999.0 Total    =     1680.00 TotPot   =     1312.49
           Tstep    =       999.0 Total    =     1696.18 TotPot   =     1008.91
           Tstep    =      1998.0 Total    =     1713.58 TotPot   =     1155.13
           Tstep    =      2997.0 Total    =     1740.83 TotPot   =      982.13
           Tstep    =      3996.0 Total    =     1772.54 TotPot   =     1067.18
           Tstep    =      4995.0 Total    =     1804.62 TotPot   =     1124.18
           Tstep    =      5994.0 Total    =     1843.47 TotPot   =     1136.04
           Tstep    =      6993.0 Total    =     1881.93 TotPot   =     1194.87
           Tstep    =      7992.0 Total    =     1901.41 TotPot   =     1225.48
           Tstep    =      8991.0 Total    =     1906.77 TotPot   =     1154.78
           Tstep    =      9990.0 Total    =     1929.73 TotPot   =     1181.37
           Tstep    =     10989.0 Total    =     1930.89 TotPot   =     1177.96
           Tstep    =     11988.0 Total    =     1930.48 TotPot   =     1142.68
           Tstep    =     12987.0 Total    =     1930.62 TotPot   =     1257.67
           Tstep    =     13986.0 Total    =     1930.46 TotPot   =     1138.96
           Tstep    =     14985.0 Total    =     1930.45 TotPot   =     1099.27
 bond n.   1      10900.0       31.34000       31.33844      249.69005  Replica ->    0
 bond n.   1      11000.0       31.50000       31.50589      251.85868  Replica ->    0
Testing 1b.in...
           Tstep    =       999.0 Total    =     1853.33 TotPot   =     1417.18
           Tstep    =       999.0 Total    =     1844.44 TotPot   =      990.53
           Tstep    =      1998.0 Total    =     1840.14 TotPot   =     1011.66
           Tstep    =      2997.0 Total    =     1838.39 TotPot   =      790.02
           Tstep    =      3996.0 Total    =     1843.16 TotPot   =      762.02
           Tstep    =      4995.0 Total    =     1841.94 TotPot   =      815.82
           Tstep    =      5994.0 Total    =     1837.88 TotPot   =      711.66
           Tstep    =      6993.0 Total    =     1833.59 TotPot   =      670.18
           Tstep    =      7992.0 Total    =     1832.04 TotPot   =      732.04
           Tstep    =      8991.0 Total    =     1834.31 TotPot   =      714.53
           Tstep    =      9990.0 Total    =     1841.65 TotPot   =      683.91
           Tstep    =     10989.0 Total    =     1842.60 TotPot   =      759.55
           Tstep    =     11988.0 Total    =     1841.83 TotPot   =      688.44
           Tstep    =     12987.0 Total    =     1842.95 TotPot   =      774.05
           Tstep    =     13986.0 Total    =     1841.83 TotPot   =      656.55
           Tstep    =     14985.0 Total    =     1842.21 TotPot   =      718.80
 bend n.   1      10900.0       90.90011       91.97942      -11.32513  Replica ->    0
 bend n.   1      11000.0       90.00011       90.28004       -8.92533  Replica ->    0
Testing 1c.in...
           Tstep    =       999.0 Total    =     1866.24 TotPot   =     1374.51
           Tstep    =       999.0 Total    =     1868.23 TotPot   =     1222.72
           Tstep    =      1998.0 Total    =     1870.41 TotPot   =      878.78
           Tstep    =      2997.0 Total    =     1871.59 TotPot   =      788.67
           Tstep    =      3996.0 Total    =     1907.52 TotPot   =      671.68
           Tstep    =      4995.0 Total    =     1910.03 TotPot   =      787.63
           Tstep    =      5994.0 Total    =     2004.89 TotPot   =      611.18
           Tstep    =      6993.0 Total    =     2005.42 TotPot   =      705.04
           Tstep    =      7992.0 Total    =     2006.07 TotPot   =      723.78
           Tstep    =      8991.0 Total    =     2006.19 TotPot   =      576.32
           Tstep    =      9990.0 Total    =     2007.69 TotPot   =      670.38
           Tstep    =     10989.0 Total    =     2007.80 TotPot   =      674.57
           Tstep    =     11988.0 Total    =     2007.62 TotPot   =      664.32
           Tstep    =     12987.0 Total    =     2008.27 TotPot   =      762.74
           Tstep    =     13986.0 Total    =     2007.48 TotPot   =      610.10
           Tstep    =     14985.0 Total    =     2006.87 TotPot   =      613.97
 tors n.   1     0.11E+05      119.60008      120.87312        5.92072  Replica ->    0
 tors n.   1     0.11E+05      120.00008      118.57920        6.06684  Replica ->    0
Testing 1d.in...
           Tstep    =       999.0 Total    =     2045.34 TotPot   =     1415.19
           Tstep    =       999.0 Total    =     2048.73 TotPot   =     1107.47
           Tstep    =      1998.0 Total    =     2083.93 TotPot   =     1125.70
           Tstep    =      2997.0 Total    =     2098.33 TotPot   =     1213.48
           Tstep    =      3996.0 Total    =     2130.95 TotPot   =     1114.73
           Tstep    =      4995.0 Total    =     2148.36 TotPot   =     1151.19
           Tstep    =      5994.0 Total    =     2191.22 TotPot   =     1284.73
           Tstep    =      6993.0 Total    =     2236.72 TotPot   =     1172.81
           Tstep    =      7992.0 Total    =     2296.02 TotPot   =     1240.44
           Tstep    =      8991.0 Total    =     2424.63 TotPot   =     1253.84
           Tstep    =      9990.0 Total    =     2801.44 TotPot   =     1489.41
           Tstep    =     10989.0 Total    =     2809.61 TotPot   =     1655.09
           Tstep    =     11988.0 Total    =     2809.21 TotPot   =     1566.41
           Tstep    =     12987.0 Total    =     2809.17 TotPot   =     1611.12
           Tstep    =     13986.0 Total    =     2809.26 TotPot   =     1665.91
           Tstep    =     14985.0 Total    =     2808.78 TotPot   =     1564.84
 bond n.   1      11000.0       31.50000       31.43084      470.36446  Replica ->    0
 bend n.   1      11000.0       90.00011      109.41180      296.74673  Replica ->    0
 tors n.   1     0.11E+05      120.00008      122.68920       -3.27530  Replica ->    0
 WORKfunction     11000.0       1.000000     470.364455     296.746732      -3.275302     763.835885
Testing 2Pa.in...
           Tstep    =      3000.0 Total    =     1665.17 TotPot   =     1058.69
           Total    =     1665.09+/-    0.350 TotPot   =     1096.37+/-   83.453
           Tstep    =      6000.0 Total    =     1664.67 TotPot   =     1009.37
           Tstep    =      9000.0 Total    =     1664.99 TotPot   =      980.64
           Total    =     1665.05+/-    0.354 TotPot   =     1077.74+/-   78.387
           Tstep    =     12000.0 Total    =     1664.51 TotPot   =      964.27
           Total    =     1665.03+/-    0.349 TotPot   =     1061.90+/-   75.962
           Tstep    =     15000.0 Total    =     1665.16 TotPot   =     1000.53
Testing 2Pb.in...
           Tstep    =      3000.0 Total    =     1551.52 TotPot   =     1212.49
           Total    =     1551.13+/-    0.377 TotPot   =     1189.13+/-   23.274
           Tstep    =      6000.0 Total    =     1551.37 TotPot   =     1157.56
           Tstep    =      9000.0 Total    =     1550.84 TotPot   =     1212.71
           Total    =     1551.09+/-    0.364 TotPot   =     1183.24+/-   26.221
           Tstep    =     12000.0 Total    =     1551.47 TotPot   =     1164.52
           Total    =     1551.09+/-    0.408 TotPot   =     1179.34+/-   28.004
           Tstep    =     15000.0 Total    =     1551.41 TotPot   =     1170.74
#  position,   DF_AQ_EQ8,  DF_AQ_EQ9, DF_AQ_EQ16, DF_AQ_MINH, DF_AQ_PMFA,    DF_AQ_J,    DF_BQ_J
     15.9848500     -1.0253     -2.9318     -1.0253     -5.8635      0.0000     -5.8635    -29.7694
     16.4697000      2.4402      1.6858      2.4402      1.2711      7.1346      1.2711    -27.6690
     16.9545500      3.8082      4.4050      3.8082      6.0877     11.9512      6.0877    -27.0471
     17.4393900      5.7057      2.3113      5.7057      0.7838      6.6473      0.7838    -25.9306
     17.9242400     10.1907      8.8287     10.1907     11.2304     17.0939     11.2304    -23.3425
     18.4090900      1.2059      4.0287      1.2059     10.3627     16.2262     10.3627    -32.0748
     18.8939400     10.4355     12.7449     10.4355     19.0990     24.9625     19.0990    -23.3787
     19.3787900      3.1933      6.2548      3.1933     14.9114     20.7749     14.9114    -32.1714
     19.8636400      3.8856      6.9908      3.8856     18.3384     24.2019     18.3384    -34.1262
     20.3484800      3.1897      6.3128      3.1897     18.8213     24.6848     18.8213    -35.9652
     20.8333300     10.7762     13.5822     10.7762     21.0741     26.9376     21.0741    -23.6792
     21.3181800     22.1281     19.8417     22.1281     21.3628     27.2263     21.3628    -11.4488
     21.8030300     23.8410     22.4302     23.8410     25.2191     31.0826     25.2191    -10.1281
     22.2878800     25.4289     26.1269     25.4289     32.8671     38.7306     32.8671    -10.3827
     22.7727300     30.1803     29.6494     30.1803     34.6510     40.5145     34.6510     -5.1217
     23.2575800     27.0391     26.9804     27.0391     31.1565     37.0200     31.1565     -6.9651
     23.7424200     26.4904     25.8807     26.4904     30.2490     36.1125     30.2490     -8.2572
     24.2272700     28.2344     28.3065     28.2344     34.2395     40.1030     34.2395     -7.3959
     24.7121200     34.5586     33.9270     34.5586     40.2426     46.1061     40.2426     -2.1579
     25.1969700     36.0575     35.8941     36.0575     44.2014     50.0649     44.2014     -2.1827
     25.6818200     41.8260     41.7259     41.8260     52.6832     58.5467     52.6832      0.9993
     26.1666700     48.3076     48.3068     48.3076     70.1851     76.0486     70.1851     -3.3409
     26.6515200     50.7363     50.7371     50.7363     70.4310     76.2945     70.4310      1.2739
     27.1363600     57.7733     57.7732     57.7733     84.4341     90.2976     84.4341      1.3429
     27.6212100     62.4733     62.4733     62.4733     93.9343     99.7978     93.9347      1.2424
     28.1060600     70.1152     70.1152     70.1152    109.3941    115.2576    109.6672      0.7936
     28.5909100     84.6391     84.6391     84.6391    114.6203    120.4838    139.1407      0.3680
     29.0757600     94.7676     94.7684     94.7684    115.3450    121.2085    158.6732      1.0926
     29.5606100    100.0524    100.0658    100.0658    114.6465    120.5100    169.9414      0.3940
     30.0454500    102.0212    102.0941    102.0941    112.8162    118.6797    175.7092     -1.4363
     30.5303000    108.6299    108.7112    108.7112    116.5583    122.4218    185.1846      2.3059
     31.0151500    112.8493    113.6386    113.6386    116.2205    122.0840    193.9612      1.9681
     31.5000000    115.0083    116.0541    116.0541    115.7642    121.6277    198.7354      1.5117
