Timeline for How can I get Vina to recognise boron atoms?
Current License: CC BY-SA 4.0
7 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Nov 3, 2021 at 13:12 | comment | added | anon | Take a look here | |
| Nov 3, 2021 at 12:56 | comment | added | anon | Molecular dynamics isn't a quantum mechanical method. It is a molecular mechanic one, that's why you need the atom parameters for the force field. | |
| Nov 2, 2021 at 15:54 | comment | added | Shredderroy | Thanks again for your suggestion. But isn't molecular dynamics a quantum and molecular mechanical approach? My colleague and I have just found out that gromacs does not work with boron atoms either. If you had something else in mind, any web link would be greatly appreciated, since I am not a biologist or a chemist. | |
| Nov 2, 2021 at 14:08 | comment | added | anon | You always can move to semiempriric or Quantum Mechanic/Molecular Mechanic approaches. | |
| Nov 1, 2021 at 16:51 | comment | added | Shredderroy | I had hoped that there would be a quicker way. Thanks for your response. This will have to be a longer term approach, but perhaps I should get started on it. | |
| Nov 1, 2021 at 16:50 | vote | accept | Shredderroy | ||
| Nov 1, 2021 at 14:04 | history | answered | anon | CC BY-SA 4.0 |