[gmx-users] Coordinate covalent bond

[Mark Abraham]

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

http://wiki.gromacs.org/index.php/specbond.dat

Mark