cc_staff
653
edits
OpenMM: Difference between revisions
Jump to navigation
Jump to search
m
Add categories
m (→Job submission: improvements to jobscript (one SBATCH option per line)) |
m (Add categories) |
||
| Line 1: | Line 1: | ||
[[Category:Software]][[Category:BiomolecularSimulation]] | |||
=Introduction= | =Introduction= | ||
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages. | OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages. | ||