Our Software
The software shown here has been developed by our group. All the software packages are essentially free software published under the condition of the General Public License.
| MOSCITO | The versatile MOSCITO simulation package. Molecular dynamics simulations using modern forcefields and state of the art computational methods. |
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| MOSTOOLS | A collection of undocumented tools and programs that are currently under development and which will probably become part of the moscito package in the future. |
| KMC | Kinetic Monte Carlo Simulation of particles on a lattice. The inifinite lattice can be shaped aribitratily, and interaction between different kinds of particles can be introduced. |
| RPMDRUN | RPMDRUN is a Volume,Temperature (V,T)-Replica Exchange Molecular Dynamics (VTREMD) simulation program based on GROMACS 3.2.1. It can be used to perform simulations of an arbitrarily shaped extended ensemble of states. |
| REPLICA | A Volume,Temperature (V,T)-Replica Exchange Molecular Dynamics (VTREMD) simulation program based on MOSCITO. |
| MDorado | A collection of Python tools to analyse structural and dynamical properties from molecular dynamics trajectories. Uses FFTs to effiecintly compute time correlation functions. |