Hi,
Please ignore my previous incomplete mail.
It seems that you have got PC1, PC2 and Gibb's free energy in the x, y and
z axes respectively. If I am not wrong you first combined the pc1.xvg and
pc2.xvg to a single .xvg file compatible with gmx sham. Right? Then, You
must have converted the
Hi,
It seems that you have got PC1, PC2 and Gibb's free energy in the x, y and
z axes respectively. If I am not wrong you first combined the pc1.xvg and
pc2.xvg to a single .xvg file compatible with gmx sham. Right? Then, You
must have converted the .xpm output from gmx sham to a text file and
Dear all
I have plotted the Free Energy Landscapes(2D) of proteins from First two
principal
components as used by GROMACS, But after that I am confused how to do
clustering on PCA surface or I want to know how to calculate the structure
of protein
corresponding to lowest free energy in FELs.
Is
