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Introduction
O
PEN
A
TOM
Manual:
Modern Simulation Methods Applied to Chemistry, Physics and Biology
Introduction
Simulation Keyword Dictionary
~sim_gen_def [16 keywords]
~sim_run_def [16 keywords]
~sim_nhc_def [28 keywords]
~sim_write_def [27 keywords]
~sim_list_def [14 keywords]
~sim_class_PE_def [25 keywords]
~sim_vol_def [4 keywords]
~sim_cp_def [29 keywords]
~sim_pimd_def [10 keywords]
Molecule and Wave function Keyword Dictionary
~molecule_def
~wavefunc_def
~bond_free_def
~data_base_def
Topology Keyword Dictionary
~ molecule_name_def []
~ residue_def []
~ residue_bond_def []
~ residue_name_def []
~ atom_def []
~ bond_def []
~ residue_morph []
~ atom_destroy []
~ atom_create []
~ atom_morph []
Potential Parameter Keyword Dictionary
~inter_parm
~bond_parm
~pseudo_parm
Coordinate Input Files
Parallel Decomposition Keyword Dictionary:
~ charm_conf_gen_def
~ charm_conf_rho_def
~ charm_conf_state_def
~ charm_conf_PC_def
~ charm_conf_NL_def
~ charm_conf_map_def
About this document ...
Abhinav Bhatele 2007-12-05
