[gmx-users] Coordinate covalent bond

Zhanglin Ni zlni at u.washington.edu
Tue May 12 06:36:38 CEST 2009

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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