AMBER Archive (2003)

Subject: RE: AMBER: CARNAL

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Aug 25 2003 - 15:45:13 CDT

Hi Ming,

> 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.

Since you compared the SELECT version to the non-SELECT version
and found a difference, it is probably doing the right thing.
A more guaranteed test would be to compare the result from the
SELECT version to one generated by the 2-step method I suggested.

Bill

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