NAMD Example

NAMD is a molecular dynamics code designed for large biomolecular systems. It is able to parallelize and scale to hundreds and thousands of cores, and can be used to run large simulations in biomolecular modeling.

This is a simple example of a molecular dynamics simulation.


Import Job Setup Get Job Results


Simulation Code NAMD v2.11 tcp
Analysis Type Molecular dynamics
Description Molecular dynamics (MD) simulations to compute atomic trajectories by solving empirical force field equations that approximate the actual atomic force in biopolymer systems.
Suggested Hardware Titanium / 1 cores
Command
namd2 bpti_namd_script
Estimated Run Time 2 minutes