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

xi zhao zhaoxiitc2002 at yahoo.com.cn
Wed Jan 20 14:40:06 CET 2010

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 2d.xvg -first 1 -last 2 
but produce errors.
Please help me! 
thank you! 

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