diff --git a/anselm.md b/anselm.md index 86b70dce362b91dd034ea753464f7d36bd2de1d7..e973aae5c7679ffe0667507b1ecafdedbbf258cb 100644 --- a/anselm.md +++ b/anselm.md @@ -17,20 +17,3 @@ | bowtie2 | | | [GROMACS](http://www.gromacs.org) | GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. | | [PLUMED](http://www.plumed-code.org) | PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. | - -## Cae - -| Module | Description | -| ------ | ----------- | -| COMSOL | | -| [deMonNano](http://www.demon-software.com) | deMonNano is a software package for density functional theory based tight binding calculations. It is part of the deMon (density of Montréal) suite of programs. The present version of the code of deMon for DFT is now known as deMon2k. This code and general information about deMon are available at http://www.demon-software.com | -| OpenFOAM | | - -## Chem - -| Module | Description | -| ------ | ----------- | -| ABINIT | | -| [ASE](https://wiki.fysik.dtu.dk/ase/) | ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. | -| cp2k-mpi | | -| lammps | |