Published April 16, 2020
| Version v1
Dataset
Open
HpTonB(30-285) simulation Amber ff03ws
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
Files
Files
(21.1 GB)
| Name | Size | |
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md5:56ac6b652aaa2239e3139d6f6a3a399a
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1.9 kB | Download |
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md5:13a8023d70221b86e8fc070ce9e05fd6
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22.4 MB | Download |
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md5:b6b72459eab2b3b962170300d5917944
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183.7 kB | Download |
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md5:01a72b2c3fb494568599f2a6dc7d018f
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1.1 MB | Download |
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md5:10de185e22ce999e774cd97a79fec741
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1.6 GB | Download |
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md5:20639dc9268780193e6d9a1f1ff3d0a6
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19.5 GB | Download |
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md5:4dba58000a02ee3199bdd51783c6dd97
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16.9 MB | Download |
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md5:06d1141cdeca3e8136d7f0139773ce1b
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1.2 MB | Download |