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Hi,<br>I am trying to calculate a PMF for an ion along a channel. Everything went OK, but when I used g_wham I got a profile with strange dimensions for the x-axis.<br>What are the boundaries g_wham is using for calculating the units of x-axis?<br><br>I have used:<br>g_wham -it tpr-files.dat -if pullf-files.dat -o file_output.xvg -hist file_histo_output.xvg -unit kCal -cycl yes<br><br>(version 4.0.7)<br><br>and the units I got in the x-axis are determined by the boundaries:<br><br>"Determined boundaries to 0.000035 to 2.603290 "<br><br>Which are these units? nm?<br> <br>The z coordinate for my ion explores at least 5 nm!!<br><br>I am a bit confused about that. <br><br>Any help will be appreciated.<br>Thanks a lot for your help in advance!<br><br>Best wishes,<br><br>Dr.Rebeca Garcia<br>Santiago de Compostela University<br>Spain<br> </div></body>
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