Grid aco
grid_aco
Parameters
- add|replace
- multiple
Description
This command generates dihedral angle restraints that include the allowed angle values stored in the standard grid memory, A. If the add option is set, the new restraints will be added to those already present. Alternatively, if the replace option is set, the "old" restraints will be discarded and replaced by those generated on the basis of the grid memory. If neither the add nor the replace option is set, the intersection between the "old" and "new" angle restraints will be formed.
By setting the multiple option it is possible to generate several restraints for one dihedral angle if several allowed regions for this dihedral angle are present in the standard grid memory. By default, a single restraint that includes all allowed ranges is generated for each dihedral angle.