Wednesday, March 23, 2011

Gabedit graphical user interface

I found a neat free software called Gabedit. It is a graphical user interface for making/reading input and output files from other softwares such as GAMESS and MOPAC. You can build molecules and send it to any of the programs listed. It can act as a driver for molecular dynamics simulations using MOPAC. If running a MOPAC geometry optimization one can view the geometry and energy of each step, much like gaussview for gaussian. So far I have only managed to get it to work for Windows, so if anyone is able to make the linux version work, please let me know...

Cheers,
Martin
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