[gmx-users] FeS4 cluster

[David]

> Here's a sample:
> 
> 5
> CYS     SG      1       CYS     SG      1       0.2     CYS2    CYS2
> 
> You want to add
> Cys SG 1 FE FE 4 0.2 CYS1 FE
>  What is the meaning of 4?

that the FE can make 4 bonds.

-- 
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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