remd_exchange.out

One row is written per attempted pair, with columns:

step replica_i replica_j temperature_label_i temperature_label_j target_temperature_i target_temperature_j potential_energy_i potential_energy_j log_acceptance_ratio acceptance_probability accepted

Indices start at zero. Temperatures are in K and total potential energies in eV. Labels and energies describe the state before the exchange. accepted is 1 for acceptance and 0 for rejection; multiple pairs may share a step.