AMBER Archive (2004)

Subject: Re: AMBER: how to visualize modes from PCA

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Mon Sep 27 2004 - 11:13:10 CDT

you might look at http://mccammon.ucsd.edu/ied
it's designed for something slightly different but may be what you want.

===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

Vlad Cojocaru wrote:

> Dear Amber users,
> Does anyone have any idea how to visualize modes from PCA analysis
> (done with ptraj). Also, I would like to find a recent review about
> the PCA applied to MD trajectories...and the data interpretation.
> Thanks a lot
> bvlad
>
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