Logging

StreaMD writes user-facing logs and raw tool output alongside your working directory (current directory or --wdir).

run_md

log_protein-fname_ligand-fname_cofactor-fname_*start-time*.log     # StreaMD status
streamd_bash_protein-fname_ligand-fname_cofactor-fname_*start-time*.log  # GROMACS/Antechamber output

Detailed logs for each ligand/cofactor preparation runs

- md_preparation/ligands/ligandN/streamd_bash_*protein-fname*_*ligand-fname*_*cofactor-fname*_*start-time*.log`: stdout for Antechamber or Gaussian ligand preparation run 
- md_preparation/cofactors/cofactorN/streamd_bash_*protein-fname*_*ligand-fname*_*cofactor-fname*_*start-time*.log`: stdout for Antechamber or Gaussian cofactor preparation run 

run_gbsa

log_mmpbsa_*unique-suffix*.log          # StreaMD status
log_mmpbsa_bash_*unique-suffix*.log     # gmx_MMPBSA output

run_prolif

log_prolif_*unique-suffix*.log          # StreaMD status

More detailed information about the logs can be found in the Outputs and Files file.