AMBER: bond breaking in proteins

From: Eddie Mende <>
Date: Tue, 26 Feb 2008 17:40:03 -0600

 Thanks for the help Dr. Case and Dr. Seabra,
it was not possible for me to upload the whole protein in pdb form.

The protein is 85 amino acid residues, and the phospate group
is attached to a histidine....Implicit solvation simulations
are supposed to be held at 1 atm pressure, right?.

Is it possible to just add a cap of water and model things with a flat


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Received on Wed Feb 27 2008 - 06:07:46 PST
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