[gmx-users] Coordinate covalent bond

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 12 06:42:40 CEST 2009

Zhanglin Ni wrote:
> Dear all,
> In pdb file. the metal ion form a coordinate covalent bond with SG of 
> cystine. but seems pdb2gmx ignored CONNECT in pdb file. how to modify 
> the .top or .itp to include the bond and parameterize the bond. I tried 
> to find some tutorial for some special case like this. But I couldnot. 
> Could someone provide the knowledge or source to learn it. Thanks



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