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
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