mm_mapping_library.F File Reference

#include "./base/base_uses.f90"

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Modules
module	mm_mapping_library
	Contains the mapping ATOM_KIND -> ELEMENT for the most common cases in CHARMM and AMBER This should avoid in most cases the need to provide the element column in the PDB if in the atom_name column of the PDB is provided instead the atom kind.

Functions/Subroutines
subroutine, public	mm_mapping_library::create_ff_map (ff_type)
	Initialize arrays for mapping KINDS <-> ELEMENTS for major elements in AMBER and CHARMM.
subroutine, public	mm_mapping_library::destroy_ff_map (ff_type)
	Deallocates the arrays used for mapping.

Variables
type(ff_map_type), pointer, public	mm_mapping_library::amber_map
type(ff_map_type), pointer, public	mm_mapping_library::charmm_map
type(ff_map_type), pointer, public	mm_mapping_library::gromos_map