Syntax:
improper_style hybrid style1 style2 ...
Examples:
improper_style hybrid harmonic helix improper_coeff 1 harmonic 120.0 30 improper_coeff 2 cvff 20.0 -1 2
Description:
The hybrid style enables the use of multiple improper styles in one simulation. An improper style is assigned to each improper type. For example, impropers in a polymer flow (of improper type 1) could be computed with a harmonic potential and impropers in the wall boundary (of improper type 2) could be computed with a cvff potential. The assignment of improper type to style is made via the improper_coeff command or in the data file.
In the improper_coeff command, the first coefficient sets the improper style and the remaining coefficients are those appropriate to that style. In the example above, the 2 improper_coeff commands would set impropers of improper type 1 to be computed with a harmonic potential with coefficients 120.0, 30 for K, X0. Improper type 2 would be computed with a cvff potential with coefficients 20.0, -1, 2 for K, d, n.
An improper style of none can be specified as an argument to improper_style hybrid and the corresponding improper_coeff commands, if you desire to turn off certain improper types.
Restrictions: none
Related commands:
Default: none