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The force field (.ff) file

All the lines beginning with ``#'' are considered as commentaries.

The file consists of a number of sections; each beginning with a keyword. Each new keyword means the end of the old section and beginning of the new one corresponding to this keyword. All energies are given in $kJ/mol$ and distances in $\AA$.


next up previous contents
Next: The molecular structure (.smol) Up: Makemol utility Previous: General organization   Contents
Alexander Lyubartsev 2010-01-07