Ghemical-GMS

Description

Ghemical-GMS is a specialized version of ghemical-1.01 developed at the University of Iowa. Ghemical-GMS contains an extra set of menus for creating GAMESS input files, and allows for the submission and queuing of GAMESS jobs using the new GTK-Gamess program. It currently runs under linux, windows and MacOSX.


Status

2005-07-13: Version 1.01.06 fixes some issues with importing gamess log files that are longer. Its a temporary fix that will be resolved completely in the 1.01.07 version. It also extends the energy readings from log files to six decimal places and fixes a formatting error when generating gamess input with frozen atoms.

2005-07-08: Version 1.01.05 is released. This version is a summer worth of improvements: Constraining bond-lengths along with freezing atoms is available. This translates to the GAMESS output that is generated. New Toolbar icons were added to update some redundant tasks such as importing files, adding/removing hydrogens, geometric optimization and GAMESS file generation. There is also a new package available in the Mac section.

2004-09-09: Version 1.01.04 Modifies the menu labels and improves the loading of Gamess output files. (Still in Testing)

2004-08-22: Version 1.01.03 Updates some path issues when using ghemical-gms name. Needed this to keep our modified version independant of the normal ghemical releases until it can be merged. Thanks to Brian Duke for testing and response.

2004-07-28: Initial Release 1.01.01.


Documentation

A Ghemical-GMS tutorial can be found here


Download

ghemical-gms-1.01.06.tgz - Ghemical-GMS Version 1.01.06 Source

ghemical-gms-1.01.05.tgz - Ghemical-GMS Version 1.01.05 Source

A windows version of ghemical-gms is provided as a cygwin archive here.

The Mac OSX version of ghemical-gms can be installed using fink. Instructions and required files can be found here.


Known Issues

Submitting to GTK-Gamess doesn't currently forgive spaces in the path name. It will be updated in the next version, however, for now save your gamess input file and open the file from GTK-Gamess.