[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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