Re: [AMBER] VMD and binary trajectories

From: James Starlight <jmsstarlight.gmail.com>
Date: Thu, 5 Jun 2014 16:19:08 +0200

Thanks!

Works perfect!

James


2014-06-05 13:39 GMT+02:00 Jason Swails <jason.swails.gmail.com>:

> On Thu, Jun 5, 2014 at 4:00 AM, James Starlight <jmsstarlight.gmail.com>
> wrote:
>
> > Dear Amber users!
> >
> > I have problems loading my binary trajectories (made with ioutfm=1
> option )
> > using vmd -crdbox trajectory.mdcrd. How does it possible to work with and
> > vizualize such trajectories using vmd? Does it need to be converted in
> text
> > format before loading?
> >
>
> ‚ÄčThose are NetCDF trajectories, not ASCII mdcrd files with box information.
> -crdbox tells VMD to treat the file as an ASCII mdcrd with box info.
>
> You can either name all NetCDF files with the suffix ".nc" (which is
> automatically recognized by VMD and does not require a format flag) or you
> can use the "-netcdf" format flag for VMD.
>
> Converting to text format would almost defeat the purpose of NetCDF
> trajectories in the first place...
>
> HTH,
> Jason
> ‚Äč
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
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Received on Thu Jun 05 2014 - 07:30:02 PDT
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