#include "parm.h"#include "common.h"#include "NamdTypes.h"#include "structures.h"#include "ConfigList.h"#include "Vector.h"#include "UniqueSet.h"#include "Hydrogen.h"#include "GromacsTopFile.h"#include "GridForceGrid.h"#include "Tensor.h"#include "molfile_plugin.h"#include <vector>Go to the source code of this file.
Classes | |
| class | ExclusionCheck |
| struct | go_val |
| struct | go_pair |
| struct | seg_resid |
| class | Molecule |
| struct | Molecule::constraint_params |
| struct | Molecule::gridfrc_params |
| struct | Molecule::stir_params |
| struct | Molecule::movdrag_params |
| struct | Molecule::rotdrag_params |
| struct | Molecule::constorque_params |
Defines | |
| #define | MAX_GO_CHAINS 10 |
| #define | MAX_RESTRICTIONS 10 |
| #define | EXCHCK_FULL 1 |
| #define | EXCHCK_MOD 2 |
Typedefs | |
| typedef go_val | GoValue |
| typedef go_pair | GoPair |
| typedef seg_resid | AtomSegResInfo |
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Definition at line 98 of file Molecule.h. |
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Definition at line 99 of file Molecule.h. |
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Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved. Definition at line 36 of file Molecule.h. Referenced by Molecule::get_go_cutoff(), Molecule::get_go_epsilon(), Molecule::get_go_epsilonRep(), Molecule::get_go_exp_a(), Molecule::get_go_exp_b(), Molecule::get_go_exp_rep(), Molecule::get_go_sigmaRep(), Molecule::go_restricted(), Molecule::read_go_file(), Molecule::receive_GoMolecule(), and Molecule::send_GoMolecule(). |
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Definition at line 37 of file Molecule.h. Referenced by Molecule::receive_GoMolecule(), and Molecule::send_GoMolecule(). |
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Referenced by buildAtomData(), and Molecule::getAtomSegResInfo(). |
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Referenced by Molecule::build_go_sigmas2(). |
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Referenced by Molecule::read_go_file(). |
1.3.9.1