Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 26, Issue 16, Pages 1719-1751Publisher
WILEY
DOI: 10.1002/jcc.20303
Keywords
molecular dynamics simulation; programming; GROMOS; biomolecular simulation
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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. (c) 2005 Wiley Periodicals, Inc.
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