Re: [AMBER] about velocity output

From: Jason Swails <>
Date: Wed, 17 Nov 2010 18:21:22 -0500


On Wed, Nov 17, 2010 at 5:59 PM, hong-bin Xie <>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!

> Any help could be greatly appreciated.
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Wed Nov 17 2010 - 15:30:05 PST
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