Here's my .xvg: # This file was created Mon Mar 8 01:50:07 2010 # by the following command: # /opt/apps/intel10_1/mvapich1_1_0_1/gromacs/4.0.5/bin/mdrun_mpi -multi 31 -deffnm onePREP -px onePREP -np 2976 -maxh 3 # # /opt/apps/intel10_1/mvapich1_1_0_1/gromacs/4.0.5/bin/mdrun_mpi is part of G R O M A C S: # # Great Red Oystrich Makes All Chemists Sane # @ title "Pull force" @ xaxis label "Time (ps)" @ yaxis label "Force (kJ/mol/nm)" @TYPE xy 0.0000 -0.000538731 2.0000 -104.01 4.0000 -128.037 6.0000 29.3498 8.0000 6.12135 10.0000 142.886 12.0000 141.699
So why would I only be getting the one data column instead of the expected 6? onePREP0.xvg is a pullx file. The command I use is: g_wham -ix PREPxvg.dat -it PREPtpr.dat PREPxvg.dat and PREPtpr.dat are lists of the respective xvg and tpr files. They are both in the same order, although they are ordered alphabetically instead of sequentially (i'm not sure if that matters or not). Here's PREPxvg.dat to illustrate the ordering: onePREP0.xvg onePREP16.xvg onePREP22.xvg onePREP29.xvg onePREP7.xvg onePREP10.xvg onePREP17.xvg onePREP23.xvg onePREP2.xvg onePREP8.xvg onePREP11.xvg onePREP18.xvg onePREP24.xvg onePREP30.xvg onePREP9.xvg onePREP12.xvg onePREP19.xvg onePREP25.xvg onePREP3.xvg onePREP13.xvg onePREP1.xvg onePREP26.xvg onePREP4.xvg onePREP14.xvg onePREP20.xvg onePREP27.xvg onePREP5.xvg onePREP15.xvg onePREP21.xvg onePREP28.xvg onePREP6.xvg Thanks for the help Gard
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