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
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> AMBER.ambermd.org
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--
-------------------------
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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Received on Tue Nov 27 2012 - 17:00:02 PST
