[gmx-users] g_bar - how to remove the last Lambda calculation

Christian mailinglists at christian-jaeger.org
Thu Feb 28 10:49:01 CET 2013


I search for a way to leave out the last *.xvg file (Lambda = 1.00) after the BAR calculations, using:  g_bar -f md*.xvg -o -oi -oh. (md1.00.xvg - file is not in this folder ;)
If I just remove the @s2 legend in the Lambda 0.95 *.xvg but it does not work :(

Is there a workaround to calculate the bar.xvg, barint.xvg and the histogram.xvg from Lambda=0 to Lambda=0.95 ?


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