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Format
The force field file is keyword driven with each key block
defining parameters for each molecular mechanics interaction type such as bond
types, angle types, torsion types, ...etc. The key block begins with the
keyword, such as "BONDS".
The lines that actually contain the parameters are
sandwiched between two lines that contain "========". The lines between the keyword and the first
line containing "========" are not read by the program. These lines
are intended for the user to define the columns as shown below. There can be as
many lines between the keyword and the first '=====' as needed.
Example:
| BONDS |
| Atoms |
pot |
K |
ro |
Notes |
| i - j |
type |
(kcal/molA^2) |
(Ang) |
|
| ================================ |
|
| ... |
| CA |
CA |
1 |
938.0 |
1.400 |
amber95 |
| CT |
CT |
1 |
620.0 |
1.526 |
amber95 |
| ...
|
| =============================== |
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