Ensemble lists¶

MMMx represents ensemble structures by sets of population-weighted conformers. The standard format is an ensemble list with extension .ens.

The file starts with a comment line (initiated by a % character) the reports the name and the date and time of generation. This is followed by $C$ lines ( $C$ is the number of conformers in the ensemble) that each contain a PDB file name and a population. The populations add up to unity.