VMD-L Mailing List

From: Adam Goler (adamgoler_at_gmail.com)
Date: Fri Jul 04 2014 - 11:18:10 CDT

If you can somehow convert your file to .nmd, that can be visualized with
the normal mode wizard format. You can generate an .nmd modes file from
using normal mode wizard on your system. If you look at it as plain text,
you can see its just a list of vector displacements. If you can somehow get
this data from your other file I suppose its possible to convert the two.

Adam
On Jul 4, 2014 9:12 AM, "Axel Kohlmeyer" <akohlmey_at_gmail.com> wrote:

> 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
> > >
>