MD_ALAD

A classical molecular dynamics simulator for TIP3P water molecules

External libraries bundled with MD_ALAD

The reciprocal part of the PME calculation is handled by the helPME library by Andy Simmonett.

Name		Name	Last commit message	Last commit date
Latest commit History 92 Commits
include		include
sample		sample
.gitignore		.gitignore
Angle.hpp		Angle.hpp
Atom.cpp		Atom.cpp
Atom.hpp		Atom.hpp
Bond.hpp		Bond.hpp
ComputeAngle.cpp		ComputeAngle.cpp
ComputeAngle.hpp		ComputeAngle.hpp
ComputeBond.cpp		ComputeBond.cpp
ComputeBond.hpp		ComputeBond.hpp
ComputeES.cpp		ComputeES.cpp
ComputeES.hpp		ComputeES.hpp
ComputeLJ.cpp		ComputeLJ.cpp
ComputeLJ.hpp		ComputeLJ.hpp
Energy.cpp		Energy.cpp
Energy.hpp		Energy.hpp
Integrator.cpp		Integrator.cpp
Integrator.hpp		Integrator.hpp
LICENSE		LICENSE
Lattice.hpp		Lattice.hpp
LoadParm.cpp		LoadParm.cpp
LoadParm.hpp		LoadParm.hpp
NAMDBin.cpp		NAMDBin.cpp
NAMDBin.hpp		NAMDBin.hpp
Option.cpp		Option.cpp
Option.hpp		Option.hpp
Output.cpp		Output.cpp
Output.hpp		Output.hpp
PDB.cpp		PDB.cpp
PDB.hpp		PDB.hpp
PDBUtil.cpp		PDBUtil.cpp
PDBUtil.hpp		PDBUtil.hpp
PSF.cpp		PSF.cpp
PSF.hpp		PSF.hpp
README.md		README.md
Random.cpp		Random.cpp
Random.hpp		Random.hpp
System.cpp		System.cpp
System.hpp		System.hpp
common.hpp		common.hpp
makefile_md_alad_ewald		makefile_md_alad_ewald
md_alad_ewald.cpp		md_alad_ewald.cpp