Questions about Gman
1. What is the intended purpose of Gman? Is it designed to replace the current Perl script library for transition states, etc., and/or to extend/build on it? What advantages does it offer over the other excellent tools which you have developed?
2. I'm not sure if this forum is the place to ask for help with installation. I followed the instructions on your website for installation on OS X and I notice that newer versions of numpy and scipy are now available for download, which claim to be compatible with python 2.5 only. I was unable to find the older versions for python 2.4. After installation I received an error message on compile that seemed to fit your note on the opt.append line which is now on line 158 of gnu.py. After making the recommended change the potentials compiled. Unfortunately, when I try to run the examples I get: "ImportError: No module named Image" in python. Not sure if this is due to running python 2.5 along with the latest versions of numpy and scipy, as opposed to the (slightly) older versions, but any help you might be able to offer would be greatly appreciated.