VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 04 2014 - 10:50:03 CDT

Well, there is a hack. There used to be a tool that could convert normal
modes into xyz animations (it may be a good exercise to write such a thing
yourself) which could then be visualized with all kinds of tools. You
should ask in the CPMD forum if someone has a copy.

On Jul 4, 2014 11:47 AM, "Axel Kohlmeyer" <akohlmey_at_gmail.com> wrote:
>
> No
>
> On Jul 4, 2014 11:01 AM, "karthik kumar" <karthik3327_at_gmail.com> wrote:
> >
> >
> >
> > ---------- Forwarded message ----------
> > From: karthik kumar <karthik3327_at_gmail.com>
> > Date: Fri, Jul 4, 2014 at 1:38 PM
> > Subject: Visualizing the displacement vector
> > To: vmd-l_at_ks.uiuc.edu
> >
> >
> > Dear VMD users,
> >
> >
> > Can we visualize the displacement vectors of normal modes from Hessian
calculations of CPMD package.
> >
> > I know its possible in JMOL, but I would be happy to visulize in VMD.
> >
> > One such file format is attached.
> >
> >
> > Thanks
> > Karteek
> >