The GROMOS software for biomolecular simulation:: GROMOS05

被引：500

作者：

Christen, M ^{[1
]}

Hünenberger, PH ^{[1
]}

Bakowies, D ^{[1
]}

Baron, R ^{[1
]}

Bürgi, R ^{[1
]}

Geerke, DP ^{[1
]}

Heinz, TN ^{[1
]}

Kastenholz, MA ^{[1
]}

Kräutler, V ^{[1
]}

Oostenbrink, C ^{[1
]}

Peter, C ^{[1
]}

Trzesniak, D ^{[1
]}

Van Gunsteren, WF ^{[1
]}

机构：

[1] ETH Honggerberg, Swiss Fed Inst Technol, Chem Phys Lab, CH-8093 Zurich, Switzerland

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 2005年 / 26卷 / 16期

关键词：

molecular dynamics simulation; programming; GROMOS; biomolecular simulation;

D O I：

10.1002/jcc.20303

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1719 / 1751

页数：33

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