Jay Ponder

Hi, Please don't use the "dasher.wustl.edu" version, as it is older. Get the current GitHub repo from https://github. com/TinkerTools/tinker, and let me know if you have trouble building that version....

Hi Brian, Sorry for not replying to this sooner. Official PDB files, as per the RCSB PDB website, are only allowed to have 99999 atoms or fewer. The PDB format...

Hi Lee-Ping, I also vote for method (3). Marie has now switched to the “new” ForceBalance, compatible with TINKER 6.3. Thinks for making those modifications so quickly. I (or Marie)...

Hi, Thanks. I'll fix this outside of your pull request, as there are likely several other places where this kind of change needs to be made. And I would note...

There is an EXTERNAL-FIELD keyword in both Tinker (a.k.a. Tinker8, the CPU code) and in Tinker9 (GPU code). This is a relatively recent addition in the past few months. It...

I'll let Zhi comment on this. But I think this post from April 2022 was basically just a note Zhi placed for him or someone in our group to clean...