VMD-L Mailing List

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon Sep 12 2005 - 21:11:58 CDT

>From the VMD Main window:

File -> Save Coordinates...

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
dimka
Sent: Monday, September 12, 2005 8:34 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: dcd tools

Dear all, is there a way to rewrite a DCD file minus the solvent?

I'm aware of a catDCD tool, but i was thinking more on the lines of
something more intuitive:

after vmd reads you psf and dcd file do something like this:

set sel [atomselect top protein]
$sel writedcd -from 1 -to 100 protein.dcd

this way it is easier to analyze longer trajectories...

sincerely,