next up previous contents
Next: Memory considerations Up: Execution Previous: Execution   Contents

Files used by the program


Table 1: Files used by the program. ``$<$fname$>$'' is the same for all files in the simulation
file I/O required description
standard input I yes the main input file
standard output O yes the main output file
*.mmol I yes files defining molecular structures
      and the force field
<fname>.start I opt start configuration
*.dat, *.ff, I opt files for optional features (LJ pairs etc)
<fname>.dmp IO opt restart file
<fname>.xmol O opt final configuration
<fname>.00n O opt trajectory files



Alexander Lyubartsev 2015-02-06