Don Steiger (dons at cs.missouri.edu) wrote:
: I am a PhD. Student in Math and I have recently been doing some work on
: numerical integration of hamiltonian systems. I would eventually like to try
: to integrate a hamiltonian for some large molecule such as a protein. I have
: to admit that at this point I don't even know if such a project is practical.
: If anyone has any good references that discusses hamiltonians for large (or
: small) molecules or any other related information and/or advice I would
: appreciate hearing from you.
Excuse me for asking this, but I assume when you say the Hamiltonian of a
large molecule you intend to look at the molecule as a problem in many degrees
of freedom with some constraints. Why is this necessarily integrable?
Hawley Rising
rising at a.crl.comrising at crl.com
