VMD-L Mailing List

From: Tim Isgro (timisgro_at_ks.uiuc.edu)
Date: Thu Apr 15 2004 - 17:54:15 CDT

The stuff below will only write the current frame to the dcd. My mistake.
This should do it:
> > mol load psf mypsf.psf
> > animate read dcd mydcd.dcd skip 10
> > animate write dcd mysmalldcdfile.dcd

Catdcd can help you out too.
Tim

On Wed, 14 Apr 2004, Tim Isgro wrote:

> Hi Chen,
> In text mode:
> > mol load psf mypsf.psf
> > animate read dcd mydcd.dcd skip 10
> > [atomselect top all] writedcd mysmalldcdfile.dcd
>
> To save size, you could also eliminate waters, for instance, from your
> trajectory if you *know* they're not important, but deleting that type
> of information is obviously more dangerous than dropping frames.
>
> Tim
>
>
> On Wed, 14 Apr 2004, Chen Yongzhi wrote:
>
> > I got a huge trajectory dcd file. It is about 2.2G size. For analysis
> > convenient, I want to reduce it by selecting a frame from each 10 frames.
> > If I could load it in graphic mode, I could use "File/Save Coordinates/Save
> > Trajectory" to get the new dcd file. But it is too huge to load. In Tcl
> > text mode, I could use "mol" command to load the pdb and dcd files. But I
> > can not find the corresponding command to the "save trajectory" function in
> > the graphic mode. Anyone could help me out? Thanks.
> >
> > Yongzhi Chen
> >
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