.. _sec-peleOutputInfo: *********** Pele Output *********** Report file =========== Text file where the Sensors (metrics and tracked variables) values are stored. The first data line corresponds to the initial state (marked with a value of 0 for both Step and AcceptedSteps). Then, there is a data line per accepted step (both Step and AcceptedSteps start counting at 1). To configure path and filename see `reportPath `_. In multicore runs, a report file is generated for each browser (with a suffix number). Example: .. code-block:: text #Task Step numberOfAcceptedPeleSteps currentEnergy Binding Energy sasaLig distance 1 0 0 -16102.1 -22.254 0.415516 4.6652 1 1 1 -19365.8 -11.5598 0.649762 7.74731 1 2 2 -19408.9 -6.45269 0.831063 10.4285 1 3 3 -19436.8 -7.41441 0.738071 11.3591 1 4 4 -19454.6 -2.23691 0.815661 10.4208 1 5 5 -19489.9 -13.5019 0.709215 10.3476 Trajectory file =============== Pdb file where all the accepted models are saved to form a trajectory: * Model 1 always corresponds to the initial state. * Model 2 corresponds to the first recorded accepted step (see `saveFrequencyForAcceptedSteps `_). * Model 3 to the second recorded accepted step, and so on. It’s only used in **savingTrajectory** and **savingBoth** `saving mode `_ options. To configure path and filename see `trajectoryPath `_. In multicore runs, a trajectory file is generated for each browser (with a suffix number). Steps folder ============ Folder where all the accepted models are saved in separated pdb files. The file numbered as 0 is the initial state. For all other files, the number is the accepted step (thus, n corresponds to the nth accepted step; if `saveFrequencyForAcceptedSteps `_) is 2, the values for n will be 2, 4, 6, etc.). It’s only used in **savingSteps** and **savingBoth** `saving mode `_ options. To configure folder path see `stepsFolder `_.