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: > 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! > [image: > 4]<http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844> > > ------------------------------ > 好玩贺卡等你发,邮箱贺卡全新上线!<http://cn.rd.yahoo.com/mail_cn/tagline/card/*http://card.mail.cn.yahoo.com/> > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist
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