Question about CHARMM-GUI Requirement in NAMD-Agent #1
Description
I have read your paper on arXiv with great interest and I'm very impressed by your work. I'm currently working on a project that builds upon the OpenCode agent framework, aiming to develop an autonomous system for performing LAMMPS simulations. I would be truly grateful for any insights or suggestions you might be willing to share.
While exploring namd-agent, I noticed that it requires the use of CHARMM-GUI. However, as you may know, registration for CHARMM-GUI is restricted to individuals affiliated with academic or government institutions. As an independent developer, I am unlikely to pass the account verification process.
Would you happen to know of any alternative approaches that do not require access to CHARMM-GUI?
Thank you very much for your time and for making your work open-source.
Best regards,
Shibo