AMBER Archive (2009)

Subject: [AMBER] PCA for CA of specific resiudes

From: Patrick Gedeon (patgpgh_at_gmail.com)
Date: Thu Jun 25 2009 - 06:43:20 CDT

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
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber