AMBER Archive (2006)

Subject: Re: AMBER: Using a trajectory and some PDB files as input for PCA

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 01 2006 - 12:10:29 CDT

On Mon, Jul 31, 2006, Zu Thur Yew wrote:
>
> I would like to ask if its possible to use a trajectory and a few PDB
> files (via trajin) as inputs to compute a covar. matrix for PCA?

Should not be a problem. You can mix various formats in the trajin section
of the ptraj input.

...dac

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