See this post for suggestions Gas or Vacuum phase - #2 by jalemkul.
Related topics
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Minimization in vacuum without PBC | 14 | 6903 | July 17, 2021 | |
| Gas or Vacuum phase | 1 | 390 | July 1, 2022 | |
| Vacuum Simulations in GROMACS 2020+ | 4 | 540 | April 11, 2024 | |
| Gas-phase MD simulations, switch off PME and Coulomb/Lennard-Jones cut-offs set to infinity | 8 | 1682 | August 4, 2022 | |
| Vacuum Simulations | 9 | 2679 | May 8, 2024 |