This script will estimate the best temperature for each replica given the temperature range and the number of replica to use.
For a system of armonic oscillators the best choice of temperature is given by:
Tm+1 - Tm = f * Tm
f is a constant that depend on the numbers of ocillators in the system and on the heat capacity at constant volume. The script runs a least-square method to optimze the value of f for a given number of replicas and a given range.
Have a nice REMD!