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.