Molecular Dynamics simulation

A Molecular Dynamics (MD) simulation is very computational intense: 30 steps for a molecule like the currently loaded take around 20 seconds, depending on the computational power.

When the simulation is over we will leave the field of molecular mechanics and come to an other field:
To understand a protein's function, it is often also necessary to study its electrostatic field. This can be easily done using BALLView, where you can compute the electrostatic potentials in space in an FDPB setting with just a few mouse clicks.

When you press Next, such an FDPB electrostatic computation will be performed. Depending on the performance of your machine this might take a moment.