possible FAILURE:  check noe.dif
/home/saugata/amber12/AmberTools/test/ptraj_order
5c5
<      0      0.05615      0.05680     -3.58311
>      0      0.00990      0.01002     -3.58341
6c6
<      1      0.04082      0.04129     -3.58445
>      1     -0.03574     -0.03616     -3.58332
7c7
<      2      0.05785      0.05852     -3.58359
>      2     -0.03754     -0.03798     -3.58341
8c8
<      3      0.06160      0.06232     -3.58239
>      3      0.01883      0.01905     -3.58194
9c9
<      4      0.08282      0.08379     -3.58240
>      4      0.03608      0.03650     -3.58432
10c10
<      5      0.04979      0.05038     -3.58355
>      5      0.00102      0.00104     -3.56631
11c11
<      6      0.05620      0.05686     -3.58261
>      6      0.00104      0.00105     -3.55124
12c12
<      7      0.06934      0.07015     -3.58213
>      7      0.02238      0.02264     -3.58199
13c13
<      8      0.07685      0.07775     -3.58256
>      8      0.03510      0.03551     -3.58382
14c14
<      9      0.05305      0.05367     -3.58339
>      9      0.00369      0.00374     -3.57890
15c15
<     10      0.06173      0.06245     -3.58226
>     10      0.01525      0.01543     -3.58043
16c16
<     11      0.08065      0.08160     -3.58234
>     11      0.02901      0.02935     -3.58415
17c17
<     12      0.06976      0.07058     -3.58273
>     12      0.02824      0.02857     -3.58356
18c18
<     13      0.05091      0.05150     -3.58278
>     13      0.00025      0.00026     -3.47732
19c19
<     14      0.05164      0.05224     -3.58410
>     14     -0.07571     -0.07659     -3.58093
20c20
<     15      0.06903      0.06984     -3.58265
>     15      0.02775      0.02808     -3.58399
21c21
<     16      0.05270      0.05331     -3.58314
>     16     -0.03038     -0.03074     -3.58190
22c22
<     17      0.04246      0.04295     -3.58381
>     17     -0.00568     -0.00574     -3.58758
23c23
<     18      0.08507      0.08607     -3.58215
>     18      0.05177      0.05238     -3.58407
24c24
<     19      0.04604      0.04657     -3.58478
>     19     -0.04572     -0.04625     -3.58407
25c25
<     20      0.04539      0.04592     -3.58449
>     20     -0.03254     -0.03292     -3.58552
26c26
<     21      0.08260      0.08357     -3.58159
>     21      0.02642      0.02673     -3.58441
27c27
<     22      0.05027      0.05085     -3.58368
>     22     -0.04728     -0.04783     -3.58135
28c28
<     23      0.08962      0.09067     -3.58115
>     23      0.04025      0.04072     -3.58242
29c29
<     24      0.11046      0.11176     -3.58047
>     24      0.07375      0.07461     -3.58281
30c30
<     25      0.07192      0.07276     -3.58178
>     25      0.02176      0.02201     -3.58153
31c31
<     26      0.08783      0.08886     -3.58116
>     26      0.03770      0.03814     -3.58201
32c32
<     27      0.11505      0.11640     -3.58032
>     27      0.08323      0.08420     -3.58283
33c33
<     28      0.10299      0.10420     -3.58065
>     28      0.06568      0.06645     -3.58289
34c34
<     29      0.07395      0.07482     -3.58170
>     29      0.02311      0.02338     -3.58136
35c35
<     30      0.08974      0.09079     -3.58096
>     30      0.04501      0.04554     -3.58210
36c36
<     31      0.10566      0.10689     -3.58062
>     31      0.06180      0.06253     -3.58298
37c37
<     32      0.09037      0.09143     -3.58116
>     32      0.05170      0.05230     -3.58316
38c38
<     33      0.07614      0.07703     -3.58160
>     33      0.02110      0.02135     -3.58083
39c39
<     34      0.10645      0.10769     -3.58066
>     34      0.07292      0.07377     -3.58313
40c40
<     35      0.05557      0.05622     -3.58329
>     35     -0.00542     -0.00548     -3.58191
41c41
<     36      0.06607      0.06684     -3.58289
>     36      0.01970      0.01993     -3.58366
42c42
<     37      0.04412      0.04464     -3.58410
>     37     -0.02458     -0.02486     -3.58581
43c43
<     38      0.05049      0.05108     -3.58391
>     38     -0.03873     -0.03918     -3.58151
44c44
<     39      0.06731      0.06810     -3.58261
>     39     -0.03086     -0.03122     -3.58112
45c45
<     40      0.08721      0.08823     -3.58079
>     40      0.05064      0.05123     -3.58273
46c46
<     41      0.05861      0.05929     -3.58290
>     41      0.01382      0.01398     -3.58196
47c47
<     42      0.05170      0.05230     -3.58313
>     42      0.00464      0.00470     -3.57729
48c48
<     43      0.06465      0.06540     -3.58261
>     43      0.02539      0.02568     -3.58331
49c49
<     44      0.07290      0.07375     -3.58165
>     44      0.00970      0.00981     -3.58778
50c50
<     45      0.06609      0.06686     -3.58320
>     45     -0.00198     -0.00201     -3.56934
51c51
<     46      0.07709      0.07799     -3.58222
>     46      0.01983      0.02006     -3.58711
52c52
<     47      0.06516      0.06592     -3.58156
>     47      0.02186      0.02212     -3.58093
53c53
<     48      0.04588      0.04642     -3.58374
>     48     -0.04024     -0.04071     -3.58176
54c54
<     49      0.04628      0.04682     -3.58350
>     49     -0.01168     -0.01181     -3.58537
55c55
<     50      0.04644      0.04699     -3.58396
>     50     -0.01028     -0.01040     -3.58524
56c56
<     51      0.08991      0.09096     -3.58217
>     51      0.05205      0.05266     -3.58398
57c57
<     52      0.10001      0.10118     -3.58096
>     52      0.05986      0.06056     -3.58320
58c58
<     53      0.06982      0.07063     -3.58273
>     53     -0.03182     -0.03219     -3.58123
59c59
<     54      0.08368      0.08466     -3.58209
>     54      0.01586      0.01604     -3.58600
60c60
<     55      0.05168      0.05228     -3.58336
>     55      0.00528      0.00534     -3.57866
61c61
<     56      0.03711      0.03754     -3.58443
>     56     -0.01536     -0.01554     -3.58682
62c62
<     57      0.07109      0.07192     -3.58224
>     57     -0.00798     -0.00807     -3.58148
63c63
<     58      0.05771      0.05838     -3.58318
>     58      0.01161      0.01175     -3.58256
64c64
<     59      0.07777      0.07868     -3.58204
>     59      0.02601      0.02631     -3.58217
65c65
<     60      0.06651      0.06729     -3.58227
>     60     -0.01154     -0.01167     -3.58054
66c66
<     61      0.04141      0.04190     -3.58403
>     61     -0.01266     -0.01281     -3.58473
67c67
<     62      0.04305      0.04355     -3.58507
>     62     -0.04260     -0.04310     -3.58477
68c68
<     63      0.04632      0.04686     -3.58517
>     63     -0.04431     -0.04483     -3.58517
69c69
<     64      0.04361      0.04412     -3.58406
>     64     -0.02300     -0.02327     -3.58406
70c70
<     65      0.09685      0.09799     -3.58121
>     65      0.05570      0.05635     -3.58350
71c71
<     66      0.07262      0.07347     -3.58205
>     66      0.01997      0.02020     -3.58624
72c72
<     67      0.03881      0.03926     -3.58510
>     67     -0.03413     -0.03453     -3.58520
73c73
<     68      0.06413      0.06488     -3.58303
>     68      0.00752      0.00761     -3.58586
74c74
<     69      0.05832      0.05901     -3.58241
>     69     -0.01067     -0.01080     -3.58208
75c75
<     70      0.07950      0.08043     -3.58125
>     70      0.03529      0.03570     -3.58213
76c76
<     71      0.06790      0.06869     -3.58235
>     71      0.01494      0.01511     -3.58348
77c77
<     72      0.05130      0.05190     -3.58412
>     72     -0.04116     -0.04164     -3.58381
78c78
<     73      0.07236      0.07320     -3.58145
>     73      0.02589      0.02619     -3.58144
79c79
<     74      0.04409      0.04460     -3.58515
>     74     -0.04431     -0.04482     -3.58473
80c80
<     75      0.04866      0.04922     -3.58409
>     75     -0.03063     -0.03099     -3.58504
81c81
<     76      0.07225      0.07310     -3.58308
>     76     -0.03431     -0.03471     -3.57855
82c82
<     77      0.07058      0.07141     -3.58277
>     77     -0.00672     -0.00680     -3.57910
83c83
<     78      0.06234      0.06307     -3.58341
>     78     -0.06349     -0.06424     -3.58071
84c84
<     79      0.07252      0.07337     -3.58295
>     79     -0.02916     -0.02951     -3.57799
85c85
<     80      0.07206      0.07290     -3.58212
>     80      0.02216      0.02241     -3.58272
86c86
<     81      0.05595      0.05660     -3.58280
>     81      0.02062      0.02086     -3.58374
87c87
<     82      0.04533      0.04586     -3.58459
>     82     -0.05696     -0.05762     -3.58144
88c88
<     83      0.06865      0.06945     -3.58259
>     83      0.02605      0.02635     -3.58384
89c89
<     84      0.05956      0.06026     -3.58384
>     84     -0.05934     -0.06004     -3.58030
90c90
<     85      0.04351      0.04402     -3.58400
>     85     -0.00650     -0.00658     -3.58875
91c91
<     86      0.07283      0.07368     -3.58264
>     86      0.02120      0.02144     -3.58373
92c92
<     87      0.06285      0.06358     -3.58298
>     87      0.01173      0.01187     -3.58466
93c93
<     88      0.04167      0.04216     -3.58414
>     88     -0.01167     -0.01180     -3.58687
94c94
<     89      0.05019      0.05077     -3.58375
>     89     -0.01065     -0.01078     -3.58393
95c95
<     90      0.08079      0.08174     -3.58246
>     90      0.03833      0.03877     -3.58381
96c96
<     91      0.05642      0.05708     -3.58324
>     91      0.00818      0.00828     -3.58172
97c97
<     92      0.03816      0.03861     -3.58485
>     92     -0.03086     -0.03122     -3.58369
98c98
<     93      0.06450      0.06526     -3.58281
>     93      0.00553      0.00559     -3.58534
99c99
<     94      0.05799      0.05866     -3.58314
>     94      0.01312      0.01327     -3.58243
100c100
<     95      0.04241      0.04291     -3.58398
>     95     -0.00881     -0.00891     -3.58886
101c101
<     96      0.04720      0.04775     -3.58378
>     96     -0.03789     -0.03833     -3.58248
102c102
<     97      0.07242      0.07326     -3.58250
>     97      0.03139      0.03175     -3.58444
103c103
<     98      0.03874      0.03919     -3.58415
>     98     -0.00974     -0.00986     -3.57327
104c104
<     99      0.03824      0.03868     -3.58443
>     99     -0.02207     -0.02232     -3.58048
105c105
<    100      0.06102      0.06174     -3.58155
>    100      0.02069      0.02093     -3.58130
106c106
<    101      0.08876      0.08980     -3.58122
>    101      0.04350      0.04401     -3.58297
107c107
<    102      0.08888      0.08992     -3.58166
>    102      0.05094      0.05154     -3.58360
108c108
<    103      0.04865      0.04922     -3.58375
>    103     -0.02129     -0.02154     -3.58673
109c109
<    104      0.10345      0.10466     -3.58038
>    104      0.07478      0.07565     -3.58288
110c110
<    105      0.06373      0.06447     -3.58320
>    105     -0.00969     -0.00980     -3.58114
111c111
<    106      0.06773      0.06852     -3.58302
>    106     -0.02209     -0.02235     -3.57877
112c112
<    107      0.07727      0.07817     -3.58234
>    107      0.02450      0.02478     -3.58266
113c113
<    108      0.07743      0.07833     -3.58283
>    108      0.02135      0.02160     -3.58338
114c114
<    109      0.05119      0.05179     -3.58402
>    109     -0.04508     -0.04560     -3.58102
115c115
<    110      0.07697      0.07787     -3.58182
>    110      0.02035      0.02059     -3.58403
116c116
<    111      0.05458      0.05522     -3.58398
>    111     -0.05641     -0.05707     -3.58053
117c117
<    112      0.08712      0.08814     -3.58086
>    112      0.05627      0.05693     -3.58324
118c118
<    113      0.04173      0.04222     -3.58385
>    113     -0.02392     -0.02420     -3.58381
119c119
<    114      0.05784      0.05851     -3.58247
>    114      0.01115      0.01128     -3.58520
120c120
<    115      0.04981      0.05039     -3.58267
>    115     -0.00898     -0.00909     -3.58366
121c121
<    116      0.06370      0.06445     -3.58213
>    116      0.03609      0.03651     -3.58391
122c122
<    117      0.03807      0.03851     -3.58530
>    117     -0.05664     -0.05730     -3.58233
123c123
<    118      0.03851      0.03896     -3.58430
>    118     -0.01545     -0.01563     -3.58710
124c124
<    119      0.07287      0.07373     -3.58260
>    119      0.02628      0.02659     -3.58484
125c125
<    120      0.03878      0.03923     -3.58537
>    120     -0.05892     -0.05961     -3.58238
126c126
<    121      0.04374      0.04425     -3.58503
>    121     -0.03863     -0.03908     -3.58547
127c127
<    122      0.09801      0.09916     -3.58046
>    122      0.06227      0.06300     -3.58285
128c128
<    123      0.03536      0.03577     -3.58346
>    123      0.00591      0.00598     -3.58140
129c129
<    124      0.08892      0.08997     -3.58098
>    124      0.04454      0.04506     -3.58305
130c130
<    125      0.05016      0.05075     -3.58293
>    125      0.00684      0.00692     -3.58637
### Maximum absolute error in matching lines = 1.27e-01 at line 19 field 2
### Maximum relative error in matching lines = 2.03e+02 at line 18 field 2
---------------------------------------
possible FAILURE:  check energies.csv.dif
/home/saugata/amber12/AmberTools/test/mmpbsa_py/01_Generalized_Born
5c5
< 1,-2020.7758,-17062.2516,-3050.7073,98.3284,-19083.0274,-2952.3789,-22035.4063
> 1,-2020.7758,-17062.2516,-3050.7073,98.3284,-19083.0274,-2952.3789,-22035.406300000002
9c9
< 1,-1956.6674,-17020.9923,-3062.954,102.3918,-18977.6597,-2960.5622,-21938.2219
> 1,-1956.6674,-17020.9923,-3062.954,102.3918,-18977.6597,-2960.5622000000003,-21938.2219
12c12
< 0,-1.2566,-5.6263,-28.5797,4.4486,-6.8829,-24.1311,-31.014
> 0,-1.2566,-5.6263,-28.5797,4.4486,-6.882899999999999,-24.1311,-31.013999999999996
16c16
< 0,-63.4582,-32.3518,35.2679,-8.3751,-95.81,26.8928,-68.9172
> 0,-63.45819999999997,-32.35180000000027,35.267900000000054,-8.375099999999989,-95.80999999999818,26.89280000000002,-68.91719999999908
17c17
< 1,-60.9966,-35.1045,41.6205,-8.465,-96.1011,33.1555,-62.9456
> 1,-60.996599999999844,-35.10449999999789,41.62050000000015,-8.465000000000002,-96.10109999999888,33.155500000000146,-62.94560000000192
---------------------------------------
