| This is part of the multicolvar module |
Calculate the alpha beta CV
- Examples
- Glossary of keywords and components
- The atoms involved can be specified using
| ATOMS | the atoms involved for each of the torsions you wish to calculate. Keywords like ATOMS1, ATOMS2, ATOMS3,... should be listed and one torsion will be calculated for each ATOM keyword you specify. You can use multiple instances of this keyword i.e. ATOMS1, ATOMS2, ATOMS3... |
- Options
| NOPBC | ( default=off ) ignore the periodic boundary conditions when calculating distances
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| REFERENCE | the reference values for each of the torsional angles. If you use a single REFERENCE value the same reference value is used for all torsions. You can use multiple instances of this keyword i.e. REFERENCE1, REFERENCE2, REFERENCE3... |
| COEFFICIENT | the coefficient for each of the torsional angles. If you use a single COEFFICIENT value the same reference value is used for all torsional angles. You can use multiple instances of this keyword i.e. COEFFICIENT1, COEFFICIENT2, COEFFICIENT3... |
1.8.17