Welcome to the CAMPARI home page!
CAMPARI is a new molecular modeling package, offering unique and
hopefully efficient and useful tools for molecular simulations
of biological macromolecules. In the very competitive market of available simulation
software, we sincerely hope that CAMPARI can populate a niche due to
its unusual layout, internal structure, supported algorithms, and
primarily due to its (thus far) exclusive support of the ABSINTH implicit solvent
model and force field paradigm.
If you are new to this software and/or this documentation, please refer to the documentation overview
page. From there, you will be able
to obtain an idea to the basic workings of CAMPARI, and you will be directed to the remainder
of the rather extensive documentation. Note that a few links may not work in the web-version
of the documentation found at campari.sourceforge.net
In that case, please refer to a local copy obtainable by downloading the package.
Some of the features built into CAMPARI include:
Features Supported by CAMPARI:
Flexible Monte Carlo sampling of biopolymers in internal coordinate / rigid-body space
Minimization and dynamics-based sampling (MD/LD in NVE/NVT) in internal coordinate / rigid-body space
Cartesian space dynamics-based sampling (MD/LD in NVE/NVT) including support for custom sets of holonomic constraints
Hybrid sampling algorithms combining Monte Carlo and dynamics methods
Ported parameters and paradigms for major force fields such as CHARMM22/27, AMBER94/99/03, OPLS-AA/L, or GROMOS53a5/6.
Full support and control of the ABSINTH implicit solvation model and underlying force field paradigm
Near-complete control over Hamiltonian through tuning of intrinsic parameters via simple keywords
Support for droplet and periodic boundary conditions with standard long-range electrostatic corrections such as particle-mesh Ewald or reaction field methods
Very wide support for replica-exchange simulations (available in multidimensional form in Hamiltonian space) with explicit support for free energy calculations
Molecule builder for polypeptides, polynucleotides, and various small molecules without the requirement to provide any structural or geometric input
Many built-in analysis routines pertaining to polymeric properties (e.g., simulated scattering data), structural
properties (e.g., secondary structure assignment for polypeptides according to DSSP), solution structure (e.g., arbitrary pair
correlation functions), and many more (with the ability to perform these analyses "on-the-fly")
Conversion of various binary trajectory file formats and PDB naming conventions, program execution in trajectory analysis mode
Completely free and released under the GPL
Features currently not supported by CAMPARI but commonly found in other simulation software packages:
Implicit solvation models other than ABSINTH
Domain-wise parallelization to speed up individual simulations
Simulations of lipids and lipid membranes
Sampling of constant-pressure ensembles using manostats
The above lists should provide you with a good idea of whether CAMPARI may be a useful addition to your toolkit.
The list of references
contains many examples of research performed with the near-exclusive use of CAMPARI.