pmx
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Using PMX for ΔΔG on a glycosylated Fc (P238D back-mutation; PDB 3WJJ): viable workflows? |
|
0 | 21 | October 12, 2025 |
| Error ABFE calculation |
|
0 | 61 | May 19, 2025 |
| Error during energy minimization |
|
4 | 83 | April 15, 2025 |
| Position restraints and barostat in alchemical free energy double-system/single-box setup |
|
2 | 450 | January 23, 2024 |
| RMSD calculation error |
|
1 | 247 | December 6, 2023 |
| Free energy calculations error |
|
1 | 656 | November 1, 2023 |