Re: [AMBER] clustering the trajectories

From: Esam Tolba <eatolba.gmail.com>
Date: Wed, 17 Oct 2012 10:44:51 +0200

How to use the 'cluster' command?
and what would be the output files?

*Best Regards,
Esam
*


On Thu, Oct 11, 2012 at 4:43 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Hi,
>
> See the 'cluster' command for ptraj or cpptraj. Note that currently
> ptraj clustering has far more options than cpptraj. Refer to the
> AmberTools manual for more details.
>
> -Dan
>
> On Thu, Oct 11, 2012 at 8:37 AM, Esam Tolba <eatolba.gmail.com> wrote:
> > Hi all
> > Is there a command to cluster the trajectories according to the
> similarity
> > of the RMSD
> > *Best Regards,
> > Esam *
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
> _______________________________________________
> 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 Oct 17 2012 - 02:00:03 PDT
Custom Search