Looking for info on hamiltonians for proteins.
dons at cs.missouri.edu
Mon Aug 21 23:51:14 EST 1995
In article <410ost$qll at nntp.crl.com> rising at crl.com (Hawley K. Rising III)
> 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
> of freedom with some constraints. Why is this necessarily integrable?
In part the answer depends on what definition of integrable you use. However,
it is not hard to come up with a Hamiltonian that is not integrable under any (
reasonable ) definition of the word integrable. What I would like try to do is
integrate the hamiltonian of some molecule using a symplectic numerical
integrator running on several loosely coupled processors. My problem is that I
have no idea what a hamiltonian for a real life molecule looks like.
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