thanks, Daniel.
Shashi
On Tue, Nov 27, 2012 at 7:42 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> Currently cpptraj does not natively support desmond trajectories
> (though this support is planned for the next release, along with a few
> more formats). In the meantime you could use a program like VMD to
> save the trajectory into a format cpptraj/ptraj currently understands
> (like DCD).
>
> Hope this helps,
>
> -Dan
>
> On Tue, Nov 27, 2012 at 2:14 PM, Shashidhar Rao <shashidharr.gmail.com>
> wrote:
> > Hello Amber Gurus,
> >
> > Is there a convenient workflow to read DESMOND MD trajectory files into
> > cpptraj? I did not recognize any keywords in the AmberTools manual to
> > facilitate such an input. I would like to analyze such data using some of
> > the interesting tools available in the latter. Would i need to convert
> the
> > DESMOND trajectories to an intermediate form that can be input into
> cpptraj?
> >
> > thanks,
> > shashi
> >
> > --
> > Shashidhar N. Rao
> > 3 SERINA DRIVE
> > PLAINSBORO
> > NEW JERSEY 08536 USA
> >
> > shashidharr.gmail.com
> > _______________________________________________
> > 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)
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Shashidhar N. Rao
3 SERINA DRIVE
PLAINSBORO
NEW JERSEY 08536 USA
shashidharr.gmail.com
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Received on Tue Nov 27 2012 - 17:30:02 PST
