NVT nose-hoover hamiltonian in SMD?

From: interesting.contraceptive_at_gmail.com
Date: Mon Jul 10 2006 - 19:30:56 CDT

the NAMD 2.6b1 does not seem to have a nose-hoover thermostat option.
there is a non-hamiltonian langevin nose-hoover thermostat, but why not a
purely deterministic option?

is it not implemented because it is challenging to integrate correctly or is
it not implemented for some other reason?

i ask because i am interested in doing SMD computations with deterministic
hamiltonian and looking in detail at forward and reverse trajectories.



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