Before running NAMD, explained in section 17, the following are be needed:
NAMD provides the
documented in Section 4,
which is capable of generating the required PSF and PDB files by
merging PDB files and guessing coordinates for missing atoms.
psfgen is insufficient for your system,
we recommend that you obtain access to either CHARMM or X-PLOR,
both of which are capable of generating the required files.