HpTonB(30-285) simulation Amber ff03ws
| dc.contributor.affiliation | University of Helsinki-Ollila, O. H. Samuli | |
| dc.contributor.author | Ollila, O. H. Samuli | |
| dc.date.accessioned | 2025-04-29T14:01:33Z | |
| dc.date.issued | 2020-04-16 | |
| dc.date.issued | 2020-04-16 | |
| dc.description | MD simulation of periplasmic part of TonB protein from Helicobacter Pylori HpTonB(30-285) with Amber ff03ws force field without additional ions. Trajectory contains the last 1000ns of the total 1171ns simulation. run1microsend.xtc (10 ps saving frequency), onlyPROTEIN.tpr, and confPROT.gro contain only protein. run6-8skip.xtc (10 ps saving frequency), run6.tpr and confEND.gro contain also solvent. Force field parameters are downloaded from https://github.com/bestlab/force_fields | |
| dc.identifier | https://doi.org/10.5281/zenodo.3754180 | |
| dc.identifier.uri | https://datakatalogi.helsinki.fi/handle/123456789/5005 | |
| dc.rights.license | cc-by-4.0 | |
| dc.title | HpTonB(30-285) simulation Amber ff03ws | |
| dc.type | dataset |