On Monday, February 16, 2015, Mahmood Jasim <ddfd09.gmail.com> wrote:
>
> I think you need to do the centering and stripping on the individual
> trajectories first and then combine the centered and stripped trajectories.
Actually you can do stripping, centering etc in one run. For example
(cpptraj syntax):
trajin t1.nc
trajin t2.nc
trajin t3.nc
strip :WAT outprefix strip
autoimage
trajout combined.nc
-Dan
>
> Also try to open the combined trajectory in VMD just to make sure that you
> are actually getting a trajectory file
>
> Regards
> Mahmood
>
> On 16 February 2015 at 14:29, Ayesha Fatima <ayeshafatima.69.gmail.com
> <javascript:;>>
> wrote:
>
> > Dear all,
> > I am trying to combine my trajectoriesto reduce the memory requirements
> of
> > ptraj to run the hbond anlaysis facility. there is no error in making the
> > combined trajectory, however when i run the hbond analysis, the
> > trajectories are not read. Any advise is useful. I am using Amber 12.
> > Thank you
> > Ayesha Fatima
> > PhD candidate UM
> >
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> >
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Feb 16 2015 - 09:30:02 PST
