Research output per year
Research output per year
Description
Run scripts, data files and movies of the molecular dynamics trajectories generated:
1. GROMACS topology files *.itp for the solvent and model asphaltenes. The former has a .gro file, and the latter also have protein databank format files (*.pdb).
2. GROMACS pre-simulation parameter files (*.mdp) for the energy minimisation, NVT, and NPT stages.
3. GROMACS simulation parameter file mdrun.mdp.
4. Movies of trajectories *.mp4.
1. GROMACS topology files *.itp for the solvent and model asphaltenes. The former has a .gro file, and the latter also have protein databank format files (*.pdb).
2. GROMACS pre-simulation parameter files (*.mdp) for the energy minimisation, NVT, and NPT stages.
3. GROMACS simulation parameter file mdrun.mdp.
4. Movies of trajectories *.mp4.
| Date made available | 23 May 2016 |
|---|---|
| Publisher | University of Strathclyde |
| Date of data production | 1 Jun 2015 - 31 May 2016 |
Research output
- 1 Article
-
Aggregation of model asphaltenes – a molecular dynamics study
Costa, J. L. L. F. S., Simionesie, D., Zhang, Z. J. & Mulheran, P. A., 28 Jun 2016, (Accepted/In press) In: Journal of Physics: Condensed Matter. 15 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile