umbrella-sampling
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Protein-ligand umbrella sampling binding affinity not matching experimental values |
|
3 | 1279 | February 16, 2023 |
| Histogram/PMF |
|
0 | 420 | January 16, 2023 |
| Umbrella sampling of membrane proteins |
|
0 | 259 | January 12, 2023 |
| Choosing reaction coordinate in steered MD simulation to be a point in space |
|
2 | 361 | November 4, 2022 |
| Umbrella sampling grompp.cpp error |
|
2 | 708 | September 29, 2022 |
| Plot profile.xvg |
|
1 | 652 | September 21, 2022 |
| Unreasonable umbrella potential plot |
|
2 | 1103 | July 5, 2022 |
| Defining mass center of a pull group |
|
2 | 518 | April 21, 2022 |
| Steered MD of protein-protein |
|
2 | 542 | April 16, 2022 |
| Umbrella sampling box size error |
|
1 | 489 | October 18, 2021 |
| Pull code for umbrella sampling |
|
0 | 546 | July 23, 2021 |
| Phase spacing in Umbrella sampling |
|
1 | 1010 | July 22, 2021 |
| 1. Peptide & Micelle structure are destabilized after enengy minimization? 2. How to soft restrain C |
|
0 | 588 | June 18, 2021 |
| Bootstrap seed selection in gmx wham is not random |
|
0 | 570 | June 1, 2021 |