Module 4 : A Case Study using Molecular Dynamics with NAMD

Lecture 20 : Input files in NAMD and VMD

SNAP SHOTS FOR NAMD

 Step I: Running of the control file (Here the filename is md.namd which contains all the instructions to the namd2 executable file)

Step 2: NAMD then checks the PDB,PSF and the force field file

Step 3: The simulation (whether heating/equilibriation/production) is now run