Output files

Diagnostics are written automatically; trajectories require dump_xyz. Fresh runs overwrite diagnostics and trajectories; resumed runs append. Temperature ladders, ladder reports, and restart files are overwritten.

File	Description
remd_temps.in	Temperature ladder
remd_exchange.out	Exchange attempts
remd_temperature_status.out	Replica-to-temperature mapping
remd_thermo.out	Target temperatures, energies, and volumes
remd_ladder.out	Acceptance statistics
prd_events.out	Transitions and physical clock
Trajectory files	Atomic configurations
Restart files	State for continuing a run

Contents

• remd_temps.in
• remd_exchange.out
• remd_temperature_status.out
• remd_thermo.out
• remd_ladder.out
• prd_events.out
• Trajectory files
• Restart files