This file (00README) briefly lists the contents of the analysis_tutorial/files directory. Subdirectory out contains results for all the examples, obtained with charmm33_a2 Files describing the system and input data for the examples: grx1_solv_min.crd Solvated coordinates for grx1 protein in TIP3P box grx1_solv.psf PSF for above grx1_solv.trj 1 ns trajectory, saved every 5 ps of this system par_all22_prot_3.inp Parameter file top_all22_prot_cust.inp RTF Utilities: init.str Stream file used by all examples. Reads PSF,COOR, opens traj... orient-recenter.inp First job to run. Creates one recentered, and one protein-only trajectory The nine examples, to be run as "charmm < fnam.inp > fnam.out": cluster.inp hbonds.inp nmr.inp phi-psi-dist.inp NB!! This requires two arguments: NFIRST and NLAST rmsd-matrix.inp rmsd-rgyr.inp secondary-structure.inp solvent.inp trp-anisotropy.inp