[gmx-users] normal mode analysis

David spoel at xray.bmc.uu.se
Tue Sep 17 20:18:45 CEST 2002


On Tue, 2002-09-17 at 19:28, Nguyen Hoang Phuong wrote:
>  
> Dear All,
> 
> in the normal mode analysis of GROMACS, are the translation and rotation 
> separated out before calculating the Hessian? 
If I'm correct these should show up as the six lowest eigenvalues.
>  
> Regards,
>  
> Phuong
>  
>  
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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