Re: Vibrational mode analysis

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Jun 15 2006 - 20:52:28 CDT

Hi Gianluca,

Unfortunately I don't know from where you can get such tutorials. My
first guess will be to go to the webpage of CHARMM
(http://www.charmm.org). You might find something useful there.

You can also check out GROMACS and why not AMBER, as Michael suggested.

I'm sorry I can't be more helpful :(

Michel

2006/6/15, Gianluca Interlandi <gianluca_at_u.washington.edu>:
> Hello Michel,
>
> Do you know of any tutorials how to do it with CHARMM? I know the vibran
> module of CHARMM ca do it.
>
> Thanks,
>
> Gianluca
>
> On Thu, 15 Jun 2006, L. Michel Espinoza-Fonseca wrote:
>
> > Gianluca,
> >
> > Regarding the first question, no, currently it is not possible to
> > perform normal mode analysis with NAMD.
> >
> > In respect to the second question, you could use the CHARMM program in
> > order to perform such analysis. I also think that you can do it with
> > the aid of the GROMACS package -which is freely available-.
> >
> > Michel
> >
> > 2006/6/15, Gianluca Interlandi <gianluca_at_u.washington.edu>:
> > > Is it possible to perform vibrational mode analysis with NAMD?
> > >
> > > If not, does anybody know of a program wich does vibrational mode analysis
> > > using the CHARMM force field?
> > >
> > > Thanks a lot,
> > >
> > > Gianluca
> > >
> > > -----------------------------------------------------
> > > Dr. Gianluca Interlandi gianluca_at_u.washington.edu
> > > +1 (206) 685 4432
> > > +1 (206) 714 4303
> > > http://biocroma.unizh.ch/gianluca/
> > >
> > > Postdoc at the Department of Bioengineering
> > > at the University of Washington, Seattle WA U.S.A.
> > > -----------------------------------------------------
> > >
> >
>
> -----------------------------------------------------
> Dr. Gianluca Interlandi gianluca_at_u.washington.edu
> +1 (206) 685 4432
> +1 (206) 714 4303
> http://biocroma.unizh.ch/gianluca/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
>

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