Re: [AMBER] snapshots

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 11 Aug 2010 19:27:41 -0400

Hello,

Add start, stop, and offset values to your trajin commands.

trajin mdcrd1 10 2000 10
trajin mdcrd2 10 2000 10
...
etc.

This will print out frames from 10 to 2000 at 10-frame intervals.

Good luck!
Jason

On Wed, Aug 11, 2010 at 6:33 PM, arikcohen <arikcohen.ucla.edu> wrote:

> Hi,
>
> Use the append flag for the trajout.
>
> Arik
>
> On 8/11/2010 3:30 PM, Philippe Pinard wrote:
> > Hi Amber users
> >
> > I would like to inspect snapsho trajectories at given time when computing
> the
> > radial density distributions with ptraj but my script that I atach to
> this email
> > gives my tons of .pdb files, is there please a smarter way to get just
> few at
> > specific timestep?
> > Thanks for your help!
> > trajin G4_bond_wat_md1_exp.mdcrd
> > trajin G4_bond_wat_md2_exp.mdcrd
> > trajin G4_bond_wat_md3_exp.mdcrd
> > radial G4_bond_wat_rad_dens_wat_58_121_H19.rdf 0.5 40.0 :WAT.O:58-121.H19
> > closest density 0.033456
> > trajout traj.pdb 1 pdb
> > go
> >
> >
> >
> >
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>
>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Aug 11 2010 - 16:30:04 PDT
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