[gmx-users] GROMOS/GROMACS force-field for vibrations.

[David]

On Fri, 2002-11-08 at 18:15, Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> Has anyone tried to use GROMOS/GROMACS forcefields to study the
> vibrational properties of the biomolecules? And how reliable
> results? Thanks in advance.

what kind of vibrational properties? Bond vibrations will be Ok, because
the force constants are derived from spectroscopy, anything more
complicated may or may not give good results. Checkout chapter one of
the manual.
> 
> 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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