VMD-L Mailing List

From: dimka (newyorkdimka_at_gmail.com)
Date: Mon Sep 12 2005 - 20:34:20 CDT

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,