[gmx-users] Exclusions for aromatic residues

[David van der Spoel]

한상화 wrote:
> Hi,
> 
> In .rtp file of a GROMOS 96 force field (ffG43a1.rtp for example), 
> exclusions seem to be listed only for aromatic residues such as TYR, 
> HIS, and TRP.
> 
> Why is that so?
> 
normally they are generated (chapter 4) but one can define extra 
exclusions. interactions within rings usualy just work to deform the 
rings which is undesired therefore they are turned off.
>  
> 
> Sanghwa Han
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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