[gmx-users] how to analysis crystal structure and 2D projections by PCA?

Dear users: I want to analyse a crystal structure by PCA, and want to show its 2D projection, but I meet errors segment fault my procedure: g_covar_d -f crystal strucutre.pdb -s crystal strucutre.pdb  -o eig.xvg -v eig.trr g_anaeig_d -f  crystal strucutre.pdb -eig eig.xvg -v eig.trr -2d

Re: [gmx-users] how to analysis crystal structure and 2D projections by PCA?

Xi Zhao, Find some elementary text on PCA and read it thoroughly. Tsjerk On Wed, Jan 20, 2010 at 2:40 PM, xi zhao zhaoxiitc2...@yahoo.com.cn wrote: Dear users: I want to analyse a crystal structure by PCA, and want to show its 2D projection, but I meet errors segment fault my procedure: