[gmx-users] Forcefield

[David van der Spoel]

On Fri, 2003-01-17 at 12:19, Tanos C. C. França wrote:
> 
>   	Hi again,
> 	What forcefield should I use to simulate a big enzyme in gromacs ? I think
> I should use 1 (proteins only) but in the example showed in tutorial
> (simulation of a peptide in water) the force field 0 is recommended.
> 	Thanks in advance.
You should use 2 (GROMOS96) or 5 (OPLS/AA) unless you want to test and
compare ffs, you want a published parameter set.


> 	Tanos.
> 
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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://xray.bmc.uu.se/~spoel
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