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cavediger

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[资源] Gromacs GUI

Gromacs GUI is a graphical user interface for popular molecular dynamics package, GROMACS. Gromacs GUI enables you to edit MDP files visually, save your mostly used commands and then execute them visually.

It is very useful although very simple. It is written in python using PyQt, so you have to have Qt and PyQt > 3.0.

I hope extend it it in near future and add some other functionalaties such as visualizing data and a trajectory viewer.

PLEASE NOTICE this is a pre-release and is not BUG FREE.Actually I hope to hear if it can be run on your system and also about how you want the interface to be and what else you need. PLEASE DONT USE IT NOW FOR REAL SIMULATIONS.some commands may not work as intended in some systems. I hope if you test it and find a problem, tell me to fix it.

Requirements:

· Python

What's New in This Release:

· Incorporating of an improved file browser to the main window. Rendering icons based on their type. Some bug fixes.

download: http://www.kde-apps.org/CONTENT/ ... 65-grogui052.tar.gz[ Last edited by ben_ladeng on 2011-7-16 at 09:19 ]

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