VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jun 17 2010 - 14:43:00 CDT

Hi,
  You should be able to do this with:
  mol new pr.pdb
  mol addfile pr.trr waitfor all
  set sel [atomselect top all]
  $sel writedcd pr.dcd
  $sel delete

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jun 16, 2010 at 05:21:00AM -0700, Rabab Toubar wrote:
> Hi
>
> I have ~ 3 GB GMX .trr trajectory file and I canno load all of it due to memory so I use stride. I want to save the whole trajectory without striding it. For NAMD trajectories I know I can use the following tcl script
> mol load psf pr.psf
> animate read dcd pr.dcd
> [atomselect top all] writedcd pr.dcd
>
> But for GMX - where I use pdb and trr files instead of psf and dcd - how can I do it
>
> Thanks
> Rabab
>
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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