[gmx-users] Metalloproteins-creation of topology files

chandran karunakaran ckaru2000 at yahoo.com
Sun Feb 6 18:19:26 CET 2005

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 

  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

With thanks

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