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What is needed

Before running NAMD, explained in section 19, the following are be needed:

NAMD provides the psfgen utility, 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. If 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.