VMD-L Mailing List

From: Mike Makowski (mmakowsk_at_uci.edu)
Date: Thu Feb 12 2015 - 02:28:35 CST

Monika,

VMD doesn't parse atomselections with braces. You'll need to use
quotes: "resid 5".

Mike​

Michael Makowski
University of California, Irvine
Department of Chemistry,
Chemical and Material Physics,
Irvine, CA 92617
Cell: 267 588 9865
Office: 949 824 5776

On Wed, Feb 11, 2015 at 10:56 PM, Monika Madhavi <monikamadhavi_at_gmail.com>
wrote:

> Dear all,
>
> I need to select all the atoms of a particular water molecule from a dcd
> file and write it's coordinates to a separate pdb/dcd file. Can I do this
> using atomselect in vmd tcl? I tried the following command but it doesn't
> work.
>
> set sel [atomselect top {resid 5}]
>
> Thank you.
> Monika
>
> --
> W.A.Monika Madhavi
> Lecturer (Probation),
> Department of Physics,
> University of Colombo.
>