Published October 13, 2017 | Version v1
Dataset Open

MD simulation data for Pseudomonas aeruginosa TonB-CTD, Amber ff99SB-ILDN, tip4p, 298K, Gromacs

Authors/Creators

  • 1. University of Helsinki

Description

MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field, tip4p water model at 298K, Gromacs software package.

Simulation reported in "Rotational dynamics of proteins from spin relaxation times and molecular dynamics simulations", Ollila et al. Submitted (2017).

Files

Files (4.3 GB)

Name Size
md5:dc67a4f717b477c810f626e7ae298302
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md5:0c323c710d4326bc886f6eb9c034b37c
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md5:fcb83acf8584e330cf4ea654ac867d93
2.2 MB Download
md5:97b9c9f6b2370abc95ef7dc3f59e52f6
1.4 MB Download
md5:1c43a9cadf08cab527a1129b331ce4a3
4.3 GB Download