[gmx-users] Metalloproteins-creation of topology files
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
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