Hi Jason:
Thank you.
I used ptraj to do this. However, it does not work. The following are
commands I used. Please correct me if anything is wrong.
trajin mdvel
trajout velocity
mdvel is binary format of velocity.
Best wishes
Hongbin
On Wed, Nov 17, 2010 at 3:21 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Hello,
>
> On Wed, Nov 17, 2010 at 5:59 PM, hong-bin Xie <xhbxhb1980224.gmail.com
> >wrote:
>
> > Hi amber users:
> >
> > I want to save velocity sets in the amber MD simulation. The keyword
> "ntwv"
> > was used.
> > However, amber 10 version can just save the velocity sets with binary
> > NetCDF
> > trajectory. I want to know how to change binary NetCDF format to normal
> > format.
> >
>
> You can probably get ptraj to do this. See if it works properly just
> treating it like a coordinate trajectory file, since it should be largely
> the same (except instead of x,y,z coords, it's x,y,z velocities). Others
> may correct me here if I'm wrong.
>
> Good luck!
> Jason
>
>
> >
> > Any help could be greatly appreciated.
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best Wishes
Sincerely Yours
Hong-bin Xie
---------------------------------------------------------------
Hong-bin Xie
Postdoctoral Researcher
Department of Chemistry
University of California at Irvine
Email:xhbxhb1980224.gmail.com <Email%3Axhbxhb1980224.gmail.com>
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Received on Wed Nov 17 2010 - 16:30:03 PST
