Dear All,
I am trying to use MBAR to calculate the PMF energy profile.
I found in order to run MBAR, we need to input two columns.
One file contains:. xaxis label "Time (ps)"
. yaxis label "Angle (degrees)"
Another file contains:. xaxis label "Time (ps)".
yaxis label "E (kJ
mol\S-1\N)"
Could you mind to let me know how can we use AMBER to generate those input files for MBAR analysis?
Best regards,
Catherine
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Received on Wed Sep 14 2011 - 07:00:03 PDT
