[gmx-users] water in protein itp file

[raja]

Dear gmxions,
I want to include one crystal water within protein itp, to further
restrict it by harmonic bond with metal ion at the active site. 
In other words, one of the water molecules to be treated just likes
another protein residue by pdb2gmx. How to do that?

My earlier posting on the same topic, but not received any replies, are
http://www.gromacs.org/pipermail/gmx-users/2006-November/024680.html
http://www.gromacs.org/pipermail/gmx-users/2006-November/024682.html
http://www.gromacs.org/pipermail/gmx-users/2006-November/024696.html

With thanks!
B.Nataraj
-- 
  raja
  raja_28 at fastmail.us

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