Hello, Not sure if you have already recieved the answer but you can use the option -first and -last with g_anaeig to get the required correlation plots.
Hope this helps, -----Original Message----- From: [EMAIL PROTECTED] on behalf of Sridhar Acharya Sent: Wed 10/18/2006 6:51 AM To: gmx-users@gromacs.org Subject: [gmx-users] PCA multiple outputs from g_anaeig Hello, g_anaeig analyzes the eigen vectors from eigenvec.trr and eigenval.xvg generated by g_covar and writes the proj.xvg, 2d_proj.xvg, 3d_proj.xvg, filtered.xvg..... etc. My question is., For a single run of g_anaeig only a specific 2d_proj.xvg (say between eigenvec 1 and 8), 3d_proj.xvg..... etc could be written. But one may want to study the projections between 1 and 2, 1 and 3, 2 and 3..... etc. Is there any way to simultaneously write all the desired projections and filtered trajectories from a single run of g_anaeig, since all the required information will be already read once by the program. Any contributors for this? Thanks in advance. sridhar _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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