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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
