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improper_style hybrid command

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:

improper_coeff

Default: none