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
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