Gmx sham / gmx xpm2ps : set the PC dimensions on the projection plots

User discussions
1

Dear Gromacs Users !

I am usingthe following commands to obtain 2d plot of the PCA charts:

gmx sham -f “{pca_project}"/2d_projection_pc1_2.xvg -ls "{pca_project}”/gibbs.xpm -notime -ngrid 100 -nlevels 100
gmx xpm2ps -f “{pca_project}"/gibbs.xpm -o "{pca_project}”/landscape_“${project_title}”.eps -rainbow blue -nice 900

my question: how to set the X and Y dimensions onto the obtained eps chart ? I also noticed that on the eps projections there is no any informations regarding the dimensions of the X and Y (PCs). How to add it back ??

2

update: i got that the trick was to the -xmin and -xmax. how could I automatically select the proper values for this in the case when I analyse several typical systems (the same protein) in the comparative way ??