Table 1:
NAMD breakdown of the computational effort on CPU
| Non-bonded forces, short-range cutoff | 90% |
| Long-range electrostatics, gridded (e.g. PME) | 5% |
| Bonded forces (bonds, angles, etc.) | 2% |
| Correction for excluded interactions | 2% |
| Integration, constraints, thermostat, barostat | 1% |