Re: Vibrational mode analysis

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Jun 15 2006 - 20:08:05 CDT

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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