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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 section corresponding to this keyword. The order of section must be kept. All energies are given in $kJ/mol$, distances in $\AA$, and angles in degrees.


next up previous contents
Next: char2mdx Up: Makemol utility Previous: General organization   Contents
Alexander Lyubartsev 2015-02-06