|Posted on Monday, July 03, 2000 - 11:51 am: |
I found it confusing to import existing Gaussian structures or jobs into WebMO. Should I build a dummy molecule in the Build Molecule screen, choose the "Preview Input File" option in the Configure Job Options screen, and then paste in my real structure? Or is there a better way?
|Posted on Wednesday, July 05, 2000 - 9:41 am: |
To import a Gaussian (or MOPAC, GAMESS, etc.) press the "Import Job" button in the "Job Manager" page. By pointing the import script to the appropriate log file, the job will become available from the job manager just like it was run using WebMO.
To run a new job using the imported molecular geometry, simply view the imported job and click the "New job using this Geometry" button.
|Posted on Monday, October 11, 2004 - 2:14 pm: |
We are evaulating WebMo Pro versus GaussView. And I have not been able to use the exercises that come with Gaussian with WebMo. Can someone provide an example Gaussain Input file using a Z-Matrix with variable?. I have not be able to import a Z-Matrix that uses variables into either the WebMo installed on my system or into the WebMo Demo on this site. Is this a WebMo Pro feature?
I have tried retyping the files and removing various combinations of lines.
|Posted on Friday, July 22, 2005 - 8:42 am: |
I've had problems since version 4(->6) importing files. It seems to work ok if I am importing from my machine to my local copy of webmo, but not from my machine to a remote copy of webmo. Any ideas?