Manual
This section of the PumMa website describes about the practical aspects of how to work with the PumMa program. All the types of input files options are discussed, as well as the output files. A small section is also dedicated to describe how to run PumMa in parallel using MPI (and LAM). If a bug is encountered, please report to
.
Input
- Input files
- Reduced units
- Input options
- Parameters
- System configuration
- Topology
- Coordinates
- Special options
Running
Output
- Output Files
- Energies
- System description
- Macroscopic quantities
- Energies per Lennard-Jones interaction
- Steered MD results
Analysis
On March 12th, 2007, an introduction seminar to PumMa has been given at City of Hope National Medical Center, Duarte, CA, USA. However, it must be noted, that at this time PumMa did not yet used SI-units and the file format has changed considerably since.