The GROMOS software for biomolecular simulation: GROMOS05 |
| |
| Authors: | Christen Markus Hünenberger Philippe H Bakowies Dirk Baron Riccardo Bürgi Roland Geerke Daan P Heinz Tim N Kastenholz Mika A Kräutler Vincent Oostenbrink Chris Peter Christine Trzesniak Daniel van Gunsteren Wilfred F |
| |
| Affiliation: | Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH-H?nggerberg, CH-8093 Zürich, Switzerland. |
| |
| Abstract: | We present the latest version of the Groningen Molecular Simulation program package, GROMOS05. It has been developed for the dynamical modelling of (bio)molecules using the methods of molecular dynamics, stochastic dynamics, and energy minimization. An overview of GROMOS05 is given, highlighting features not present in the last major release, GROMOS96. The organization of the program package is outlined and the included analysis package GROMOS++ is described. Finally, some applications illustrating the various available functionalities are presented. |
| |
| Keywords: | molecular dynamics simulation programming GROMOS biomolecular simulation |
| 本文献已被 PubMed 等数据库收录！ |
|
