TRANSITION_SCHEME

 NAME
TRANSITION_SCHEME – Choose scheme for replica transitions

 SYNOPSIS
TRANSITION_SCHEME $scheme$

 DESCRIPTION
This command defines the replica transition scheme used during an SGE simulation. The allowed values of the keyword $scheme$ are:

$\bullet$

SEO Use the so-called “Stochastic Even/Odd” (SEO) transition scheme. At each transition step the trajectory in ensemble $n$ attempts a transition towards ensemble $(n+1)$ or $(n-1)$ with equal probability.

$\bullet$

DEO Use the so-called “Deterministic Even/Odd” (DEO) transition scheme. If at the $s$-th transition step the trajectory is in ensemble $n$, a transition is attempted towards ensemble $n+(-1)^{n+s}$; that is, toward ensemble $(n+1)$ at even steps and to ensemble $(n-1)$ at odd steps, if $n$ is even; the opposite if $n$ is odd. This scheme is the same as the coupling scheme used in Replica Exchange, and is expected to give better diffusion in temperature space than SEO [114].

 EXAMPLE
TRANSITION_SCHEME SEO

 DEFAULTS
The default for $scheme$ is DEO