WebMO Support Forum

Would it be possible to add a hint in the memory setting for each engine regarding the units to be used, or would each of the engines recognize standard abbreviations such as MB and GB? In addition, should there be a space between the number and the unit (e.g., 16 GB) or should there be no space (e....

1. When I run a molecular energy calculation with GAMESS 2022.2 for Linux, the output automatically includes molecular orbitals, but this is not the case with other engines, such as Gaussian16 or Psi4 1.7. Would I need to determine the necessary keywords for each engine to get MO output from, say, a...

Running WebMO v22.0.009p on Linux Mint 21.1 (based on Ubuntu 22.04) with Xfce DE. TeraChem 1.95A is installed on the same machine, and I can successfully run tests on standalone TeraChem. However, when I run TeraChem via WebMO, the job completes without showing any error, but there is no visible out...

I have just started using WebMO. I see that it is, of course, possible to run a QM energy minimization on a single molecule that is either built within the WebMO interface or uploaded from a file. However, is it possible to minimize a set of molecules in a concatenated SDF file in an automatic way, ...

Thank you for your reply. I think I will be able to sort out the details regarding remote access, including VPN.

Thank you! I opened the http and https service ports on my Linux server, and now I can connect to WebMO with the Windows machine on my local network. Some additional follow-up questions: 1. What about remote access via the internet rather than over a local network? 2. What if the server and/or the c...

I am new to webmo. I installed the server software on a Linux machine (Linux Mint 19.3 64-bit Xfce, based on Ubuntu 18.04 LTS). Everything seems to be working as expected on the Linux machine. However, I am now trying to use webmo on a Windows 10 client machine that is on my local network, but the c...