Re: [AMBER] Cpptraj RDF onlyframes

From: Elvis Martis <elvis_bcp.elvismartis.in>
Date: Wed, 18 Sep 2019 18:45:22 +0530

hello
you can try by load just that many frames from the trajectory.
trajin XYZ.mdcrd 301 1000 1 (START-FRAME END-FRAME FREQUENCY)

Best Regards



On Wed, 18 Sep 2019 at 17:40, Nikolay N. Kuzmich <nnkuzmich.gmail.com>
wrote:

> Dear Amber users and developers,
>
> I would like to obtain RDF for the trajectory with starting portion of
> frames dropped out so there are only 301-1000 frames necessary for
> analysis.
> Is it possible to add ''onlyframes 301-1000'' option to the rdf expression
> anyhow?
> No success so far. Or should I perform it in 2 steps - to cut the
> trajectory first, to obtain a new one with trajout command, and then to
> apply rdf command for the new trajectory?
>
> Kind regards
> Nick
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 18 2019 - 06:30:03 PDT
Custom Search