Re: Vibrational mode analysis

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Jun 15 2006 - 19:47:29 CDT

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.
> -----------------------------------------------------
>

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