[gmx-users] Problems to generate the Hessian Matrix

[Justin A. Lemkul]

Luis Paulo wrote:
> 
> 
> 2010/9/2 Luis Paulo <luisp37 at gmail.com <mailto:luisp37 at gmail.com>>
> 
> 
>     Dear all
> 
>     I need to calculate the normal modes of a protein. I am trying to
>     generate the hessian matrix with mdrun. But it did not generate the
>     hessian matrix  (nm.mtx).
>     Thanks for some help
> 

What was in your .mdp file?

-Justin

>     Luis Scott
>     -- 
>     Prof. Dr. Luis Paulo Scott
>     CMCC- Centro de Matemática, Computação e Cognição
>     Universidade Federal do ABC
>     Grupo de Pesquisa em Biologia Computacional
> 
> 
> 
> 
> 
> -- 
> Prof. Dr. Luis Paulo Scott
> CMCC- Centro de Matemática, Computação e Cognição
> Universidade Federal do ABC
> Grupo de Pesquisa em Biologia Computacional
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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