[gmx-users] pullx.xvg format

[Gavin Melaugh]

Hi all

I have a very quick question. The output for umbrella pulling
simulations (pullx.xvg) often appears to have an irregular format, in
that the columns don't seem to be perfectly aligned (see below).
I have never had a problem with this as g_wham never reported any
errors. I was just wondering is this an issue?

Cheers

Gavin

8631.6006       1.05024 3.941   3.80205 0.0919597       0.147718       
-0.0215892
8631.9004       1.03157 3.94253 3.80054 0.0290956       0.175955       
-0.0447413
8632.2002       1.01474 3.96139 3.81348 0.0594728       0.160099       
-0.0482623
8632.5000       1.0197  3.95987 3.82872 0.0515857       0.140793       
-0.0359526
8632.8008       1.03466 3.94717 3.83522 0.0775257       0.156349       
-0.0268523
8633.1006       1.03959 3.94529 3.83996 0.0630389       0.140153       
-0.0315862
8633.4004       1.0372  3.95998 3.82624 0.0489344       0.1468  -0.0239522
8633.7002       1.02653 3.95994 3.82712 0.0632881       0.142731       
-0.0574301
8634.0000       1.01196 3.95079 3.81532 0.0594033       0.128616       
-0.057459
8634.3008       1.00748 3.93597 3.82667 0.146123        0.114964       
-0.0386781
8634.6006       1.00209 3.91869 3.83553 0.0928916       0.119439       
-0.0338013
8634.9004       0.993704        3.92392 3.8084  0.0669909      
0.152878        -0.0255926
8635.2002       1.00164 3.94898 3.79449 0.0824905       0.170253       
-0.0137497
8635.5000       1.0168  3.95829 3.78047 0.058119        0.158457       
-0.0219142
8635.8008       1.03037 3.95717 3.7914  0.0950175       0.145733       
-0.0685743
8636.1006       1.0152  3.94208 3.78807 0.0705052       0.147887       
-0.0117258
8636.4004       1.00647 3.93244 3.79199 0.092164        0.130635       
-0.00548112
8636.7002       1.02261 3.91966 3.76668 0.0743383       0.160227       
-0.0491515
8637.0000       1.0466  3.91742 3.73989 0.0766793       0.134678       
-0.09385
8637.3008       1.04931 3.93179 3.75026 0.126789        0.115951       
-0.0487055
8637.6006       1.04238 3.94086 3.73288 0.127404        0.150352       
0.00932272
8637.9004       1.02266 3.92861 3.74975 0.0541594       0.164885       
-0.0608739
8638.2002       1.01286 3.93057 3.77248 0.14425 0.10085 -0.00612713
8638.5000       1.01337 3.94557 3.79916 0.11815 0.0991607       0.00891958
8638.8008       0.987062        3.93091 3.81182 0.0363212      
0.168897        -0.0292177
8639.1006       0.995336        3.93407 3.82284 0.122306       
0.0993002       -0.00813846
8639.4004       1.00739 3.95131 3.82143 0.0971151       0.124606       
-0.0229913
8639.7002       1.01473 3.98067 3.82504 0.130283        0.117168       
-0.0369952
8640.0000       1.02179 3.97666 3.80322 0.107674        0.13277 -0.0346299
8640.3008       1.02445 3.96855 3.79499 0.0598816       0.185437       
-0.0311454
8640.6006       1.03611 3.94857 3.79149 0.105113        0.122864       
0.00836338
8640.9004       1.02776 3.94737 3.79431 0.09896 0.093913        -0.0594025
8641.2002       0.993178        3.93066 3.80311 0.0987073      
0.146735        -0.0481467
8641.5000       0.981653        3.91943 3.7912  0.0527064      
0.155903        -0.0340922
8641.8008       0.99508 3.92219 3.80137 0.112235        0.08475 -0.0709295
8642.1006       1.0068  3.91384 3.78044 0.0627984       0.156858       
-0.0764401
8642.4004       1.00386 3.93476 3.80116 0.080642        0.0993683      
-0.050131
8642.7002       0.993248        3.90789 3.80662 0.0890923      
0.148829        -0.0430867
8643.0000       0.992517        3.87576 3.79073 0.091716       
0.134674        -0.0131645
8643.3008       0.995234        3.89502 3.7805  0.0704844      
0.156837        -0.0469381
8643.6006       1.01357 3.91115 3.75715 0.0796926       0.128354       
-0.0687171
8643.9004       1.01555 3.90522 3.75396 0.0917188       0.140592       
-0.0575233