Timeline for Writing Topology file for Ligand for Gromacs
Current License: CC BY-SA 3.0
5 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Aug 7, 2014 at 15:10 | vote | accept | Devashish Das | ||
| Aug 7, 2014 at 15:09 | comment | added | CTKlein | From the tutorials I linked, here are a few tools used for different forcefields. Not all of them are actively maintained so you do need to actually understand how the topology SHOULD look and double check the output. You should really take some time to read the chapter in the manual so you understand the structure of the files. bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/… | |
| Aug 7, 2014 at 15:06 | comment | added | Devashish Das | Thanks for the answer but I know the tutorial and I have mentioned both ProDrug and ATB. But every time get errors so here in this post they ask to write it manually. Can you suggest any offline tool? | |
| Aug 7, 2014 at 15:01 | history | edited | CTKlein | CC BY-SA 3.0 |
deleted 2 characters in body
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| Aug 7, 2014 at 14:48 | history | answered | CTKlein | CC BY-SA 3.0 |