Re: [AMBER] Cpptraj pdb snapshots

From: Lizelle Lubbe <LBBLIZ002.myuct.ac.za>
Date: Mon, 13 Nov 2017 13:07:18 +0000

Thanks David, that seems very straightforward!

________________________________________
From: David A Case <david.case.rutgers.edu>
Sent: 13 November 2017 03:01:41 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Cpptraj pdb snapshots

On Mon, Nov 13, 2017, Lizelle Lubbe wrote:

>
> I would like to process my .nc file into pdb format snapshots
> Could anyone advise me how to do this in cpptraj?

parm <prmtop file>
trajin myfile.nc
trajout myfile.pdb [options go here]

If you look in the Reference Manual, you can find options for the trajout
command; or, more simply, just type "help trajout" at the cpptraj command
line.

....dac


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Received on Mon Nov 13 2017 - 05:30:05 PST
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