[AMBER] PCA for CA of specific resiudes

From: Patrick Gedeon <patgpgh.gmail.com>
Date: Thu, 25 Jun 2009 12:43:20 +0100

Hello,
To do PCA for all the c-alphas I am using the following commands using
ptraj:

*matrix covar name covmat out covmat_ca.dat .CA*
*analyze matrix covmat out evecs_ca.dat vecs 3*
*
*
*followed by:*
*
*
*projection modes evecs_ca.dat out pca123_ca beg 1 end 3 .CA*
*
*
How do I alter this so that it is for all the c-alphas of only specific
residues (ex c-alphas of [residues 10-20 and residues 45-50]) ?

Thanks,
Patrick
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Received on Mon Jul 06 2009 - 11:14:11 PDT
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