WebMO Support Forum

We are aware of Tinker issues with recent version. Most notably, Tinker completely changed their "atom types" recently, which will need to get addressed in WebMO 24. With QE, make sure that you have installed the pseudopotential library AND configured WebMO to know where to find in. (From the error,...

We have not attempted to add any additional support for BrianQC, but this could most likely be added via customization of the run_qchem.cgi script.

I'm having trouble exactly following the goal. You have WebMO running in a container. WebMO does not care it is running inside a container, as long as it is accessible via HTTP (port 80, by default) or HTTPS (port 443, by default). Those ports would need to be exposed/published by the container so t...

There is no good way to do this, unfortunately. I believe the "best" way is simply to DELETE the old server and then re-add it. This should move it later in the queue. (Tweaks to "remote servers" are few and far between these days, since almost all usage is now either "fat" single machines or HPC cl...

It is very hard to tell from the manual, but looking here:

http://openmopac.net/manual/index_troubleshooting.html

It looks like MINDO/3 has not been included in MOPAC since MOPAC 2002.

I'm not convinced that the error you are seeing in the log is related to the script. Is it repeated each time you try and run a script, or only once? If it is really EACH time, it appears to be an internal error in Apache itself when trying to run scripts via modcgi. This would be surprisingly. Make...

We'll consider this as an option for the future. (The reason that filters are *not* sticky by default is that, as per prior testing, users forget they have them set, and then get confused when their jobs don't show up.)

There should be no size limit. Most likely, there is just a parsing error (often due to unusual Gaussian formatting) somewhere in there. If you post an original output file, I can easily take a look.

All group features are fully supported in cloud-based installs. External authentication via Active Directory is, in principle, supported has well. However, the utility of that feature may be limited depending on how it is installed. For example, the cloud based server would lie outside your local (u...

Note that NTOs are automatically parsed and can be visualized in WebMO 22 and higher. WebMO 22+ also contains a job template (for Gaussian and QChem) to calculate and output these orbitals. For earlier versions, it would be easy to add a new job "template" to calculate the transition orbitals, but t...