#ifndef DEFAULT_H #define DEFAULT_H #define PARAM_FILE "alanin.params" #define PSF_FILE "alanin.psf" #define PDB_FILE "alanin.pdb" #define SEED 12345 #define CUTOFF 12.0 #define SWITCHDIST 8.0 #define DIELECTRIC 1.0 #define SCALING14 1.0 #define TEMPERATURE 300.0 #define TIMESTEP 1.0 #define NUMSTEPS 100 #define LABELSTEPS 20 #endif