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Contents
Before running NAMD, explained in section 8,
the following are be needed:
- A CHARMM force field in either CHARMM or X-PLOR format.
- An X-PLOR format PSF file describing the molecular structure.
- The initial coordinates of the molecular system in the form of a PDB file.
- A NAMD configuration file.
We strongly recommend that you have access to either CHARMM or X-PLOR,
either of which is capable of generating both the PSF and PDB files.
NAMD currently provides no automatic method of generating these files.
namd@ks.uiuc.edu