[gmx-users] Metalloproteins-creation of topology files

[chandran karunakaran]

Dear GMX user,

  I am interested in plastocyanine, ie 
metalloprotein molecular dynamics simulation
using GMX toplology and force field parameters. 
I could not find any tutorial for such kind of 
systems. 

  I assumed the Cu(II) and coordinating
aminoacid residues as one moiety and gave
atomic numbering and name. But I got 
error. I would be happy if someone could
advise me how to do it.

  Does GMX have patch commands like in
CHarmm? 

With thanks
Dr.C.Karunakaran

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