The GROMOS software for biomolecular simulation: GROMOS05.
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.
Christen
Markus
M
Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH-Hönggerberg, CH-8093 Zürich, Switzerland.
Hünenberger
Philippe H
PH
Bakowies
Dirk
D
Baron
Riccardo
R
Bürgi
Roland
R
Geerke
Daan P
DP
Heinz
Tim N
TN
Kastenholz
Mika A
MA
Kräutler
Vincent
V
Oostenbrink
Chris
C
Peter
Christine
C
Trzesniak
Daniel
D
van Gunsteren
Wilfred F
WF
D000465:Algorithms; D003198:Computer Simulation; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D012984:Software; D012985:Software Design