[gmx-users] Regarding 1-d free energy profile from g_sham

bipin singh bipinelmat at gmail.com
Sat Oct 1 16:00:24 CEST 2011


I am using g_sham to plot a one dimensional free energy profile for a given
reaction coordinate( in my case it is first principal
component(PC1) from a principal component analysis). It gives me the bin
index Vs free energy plot, but I want PC's value
Vs free energy plot. Please suggest me whether it is possible through g_sham
or not.

*Thanks and Regards,*
Bipin Singh
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