qm-mm
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Error compiling gromacs 2022.2 with CP2K 9.1 |
|
0 | 10 | June 30, 2022 |
| GROMACS+CP2K Single vs Double Precision |
|
2 | 62 | April 5, 2022 |
| QMMM with Gaussian |
|
1 | 53 | April 5, 2022 |
| Ligand parameterisation for CHARMM FF with CP2K |
|
1 | 64 | April 5, 2022 |
| GROMACS 2022+CP2K with GPU |
|
2 | 93 | March 29, 2022 |
| GROMACS 2022+CP2K 8.2 installation problem |
|
2 | 205 | March 22, 2022 |
| Nvt.tpr -I couldn't manage my nvt.tpr |
|
2 | 99 | March 16, 2022 |
| In QM / MM simulation, is it enough to define CNT as a quantum part to see the interaction of pi-cat |
|
0 | 45 | January 27, 2022 |
| QMMM with Mopac or CPMD |
|
4 | 170 | December 15, 2021 |
| Building Gromacs with MiMic QM/MM |
|
2 | 412 | March 23, 2021 |
| Can I study chemical reactions using the QM/MM implemented in Gromacs? |
|
2 | 135 | March 18, 2021 |
| Warning 'QMMMscheme' and 'MMChargeScaleFactor' |
|
1 | 236 | March 12, 2021 |