Bob and list, Like many others, I’ve been using WebMO to facilitate student access to computational engines on a server. Unfortunately, WebMO (on a desktop browser) still uses Java.
Fortunately, WebMO easily facilitates running input files uploaded from a desktop. So, the plan is, create g09 input files using Jmol Application>Tool>Gaussian, then upload and submit jobs to the computational server using WebMO. Here’s the hitch, I think: Gaussian input file needs to terminate in an “empty” line. When I upload the file, the “empty line” that I put in seems to get stripped, and the job fails. Here are my questions: Can the Gaussian tool be configured, by default, to add an empty line? What is the best way to do this? I have found that terminating the file created by the Jmol app with: [blank line] ! creates a g09 input files that run to completion. ! is a comment, of course, and text in [blank line ] should be empty. I’m interested in hearing other strategies, of course. “Why aren’t you using X?” is welcome. (E.g., why aren’t you using the iOS version of WebMO?) For the time being, though, I like the WebMO interface for keeping track of jobs/job failures of newbie quantum chemists! (We of course could add the [blank line] \r ! to each file, but it’d be nice to have something that’s automatic.) Matt Kubasik ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
