WebMO Support Forum

Upon looking further at this, I noticed that the format for the xyz file generated by WebMO from the Build Molecule interface (i.e. File>Export Molecule... and the selecting XYZ format) differs from format of the input.xyz and output.xyz files that appear in the directory for a completed job. The xy...

Hello, Is there a way to append a file to a job at submission time, for example to perform calculations that refer to files that are separate from the job input file? The example I have encountered is NEB transition state calculations in ORCA, which require one of the two required molecule geometrie...

[Solved] The issue was that no computational engines had been enabled for the remote server. After enabling ORCA for the remote "compute-2" machine the Interfaces Manager, the remote machine is available for jobs and works as expected.

This regards WebMO version 21.0.010p, running on a Google Cloud VM (installed as indicated here: https://www.webmo.net/support/sitcGCP.html). I have added the information for a remote server "compute-2", and this now appears under the "Edit servers" tab in the Remote Server Manag...

Thanks for the quick response. I look forward to the fix.

The partial charges do not display correctly for certain ORCA jobs. I've checked this on WebMO 18 and 21, using Orca 4.x and 5.x versions and get the same result: the Partial Charges lists no charge for chlorine in chlorobenzene and the charges will not overlay on the structure when clicking the mag...