07 January 2024 0 6K Report

Hi all,

I'm trying to plot Free Energy Landscapes from Gromacs after using the gmx sham function.

After using the command:

gmx sham -f PCAplot2d.xvg -notime -ls gibbs1-2.xpm

(where PCAplot2d.xvg is the PCA plot generated with the gmx anaeig command)

However, I'd like to get the 3D plots for this, and the Gromacs manual doesn't seem to say anything about this.

Please suggest any command that can be used in gromacs

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