[gmx-users] PCA multiple outputs from g_anaeig

Mausumi Mazumdar mausumi.mazumdar at crchul.ulaval.ca
Wed Oct 18 18:59:24 CEST 2006

 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: gmx-users-bounces at gromacs.org on behalf of Sridhar Acharya
Sent: Wed 10/18/2006 6:51 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] PCA multiple outputs from g_anaeig

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.

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