pmx
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| NVT vs NPT for Non-Equilibrium Switching in pmx/GROMACS |
|
1 | 32 | January 26, 2026 |
| Using PMX for ΔΔG on a glycosylated Fc (P238D back-mutation; PDB 3WJJ): viable workflows? |
|
5 | 80 | November 20, 2025 |
| Absolute binding Free energy with NE-MD: Single-step complex leg & Boresch restraint tips |
|
1 | 101 | August 4, 2025 |
| PMX alchemical free energy calculation for protein mutation |
|
1 | 90 | March 25, 2025 |
| Pmx ligandHybrid error |
|
7 | 111 | March 15, 2025 |
| PMX Ligand Preparation from Scratch - Atom Types and Parameter Discrepancies |
|
2 | 78 | February 28, 2025 |
| Example for software feedback |
|
0 | 69 | July 5, 2024 |