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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Disclaimer - University of Cape Town This e-mail is subject to UCT policies and e-mail disclaimer published on our website at
http://www.uct.ac.za/about/policies/emaildisclaimer/ or obtainable from +27 21 650 9111. If this e-mail is not related to the business of UCT, it is sent by the sender in an individual capacity. Please report security incidents or abuse via csirt.uct.ac.za
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 13 2017 - 05:30:05 PST
