AMBER Archive (2003)

Subject: RE: AMBER: CARNAL

From: Ming Lei (MILei_at_clarku.edu)
Date: Mon Aug 25 2003 - 15:12:50 CDT

Hi, Bill:

I used two input files to calculate the average structure pdb, the first
one used three trajectory file as stream id and SELECT option,
another used one trajectory file and no SELECT option.

As a result, the output average pdb files are the same and they
are obviously different from that along the whole trajectory(1200
snapshot). So I just assumed it worked well in this case.

MIng

-----Original Message-----
From: Bill Ross [mailto:ross_at_cgl.ucsf.edu]
Sent: Monday, August 25, 2003 3:40 PM
To: amber_at_scripps.edu
Subject: RE: AMBER: CARNAL

> Why not have a try? I just tested SELECT option to get the average
> structure for the first 400 snapshots in a 1200 snapshots trajectory.
> It worked well.

Did you verify that the average given was not for all 1200
snapshots?

Bill Ross

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