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Bioinform Biol Insights. 2009 Sep 7;3:99-102.

Gromita: a fully integrated graphical user interface to gromacs 4.

Author information

1
Institute of Biology, National Centre for Scientific Research "Demokritos", 15310 Ag. Paraskevi Attikis, Greece. Email: meta@bio.demokritos.gr.

Abstract

Gromita is a fully integrated and efficient graphical user interface (GUI) to the recently updated molecular dynamics suite Gromacs, version 4. Gromita is a cross-platform, perl/tcl-tk based, interactive front end designed to break the command line barrier and introduce a new user-friendly environment to run molecular dynamics simulations through Gromacs. Our GUI features a novel workflow interface that guides the user through each logical step of the molecular dynamics setup process, making it accessible to both advanced and novice users. This tool provides a seamless interface to the Gromacs package, while providing enhanced functionality by speeding up and simplifying the task of setting up molecular dynamics simulations of biological systems. Gromita can be freely downloaded from http://bio.demokritos.gr/gromita/.

KEYWORDS:

cross-platform; graphical user interface; gromacs; molecular dynamics; simulation

PMID:
20140074
PMCID:
PMC2808185

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