energy-minization
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Deleting problematic water molecules from .gro files |
|
1 | 719 | March 2, 2023 |
| Energy Minimisation error |
|
0 | 577 | February 7, 2023 |
| Starting with same strutue, EM doesn't converged same structure(or step) |
|
2 | 263 | January 31, 2023 |
| Positive potential energy after energy minimization of alcohol-water system |
|
2 | 682 | January 3, 2023 |
| Minimization converges with gromacs 2021.5, but fails with gromacs 2022.2 |
|
3 | 395 | November 22, 2022 |
| Molecules change the shape in energy-minimization step |
|
1 | 344 | April 28, 2022 |
| Minimization in vacuum without PBC |
|
14 | 7154 | July 17, 2021 |
| Blowups with de novo peptides |
|
0 | 356 | May 15, 2021 |