Re: [AMBER] handling long trajs for PCA and components plot

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 5 May 2014 21:26:09 -0400

On Tue, May 06, 2014, newamber list wrote:
>
> trajin 1.trj.nc
> strip !(1-328.N)
> trajin 2.traj.nc
> srtip !(1-328.N)

First, you only need one strip command; second, the syntax you are using is
missing a ":" character. Consider something like this:

trajin 1.trj.nc
trajin 2.trj.nc
  etc.
strip !(:1-328.N) outprefix strip
trajout 1-2.trj.strip.nc
go

You will get a trajectory with just nitrogens, and prmtop to go along with it.
Further analysis will be much faster, since you will have a single, short
trajectory.

...dac


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Received on Mon May 05 2014 - 18:30:02 PDT
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