User contributions for Fdp18
Appearance
24 June 2021
- 10:0210:02, 24 June 2021 diff hist −2 Lammps and plumed No edit summary current
26 May 2021
- 12:5312:53, 26 May 2021 diff hist +3,168 Lammps and plumed →Using PLUMED (hack-the-tree)
- 12:3012:30, 26 May 2021 diff hist +1,224 Lammps and plumed No edit summary
- 12:2912:29, 26 May 2021 diff hist +64 N File:BMIMTFSI.zip BMIMTFSI example, PLUMED special version / hack-the-tree branch. current
- 12:1512:15, 26 May 2021 diff hist +336 Lammps and plumed →Using PLUMED (2.6.0)
- 12:1412:14, 26 May 2021 diff hist +765 Lammps and plumed →Using LAMMPS
- 12:0712:07, 26 May 2021 diff hist +809 Lammps and plumed →Using PLUMED (2.6.0)
- 12:0412:04, 26 May 2021 diff hist +456 Lammps and plumed No edit summary
- 12:0112:01, 26 May 2021 diff hist +1,521 Lammps and plumed →Using PLUMED (2.6.0)
- 11:5211:52, 26 May 2021 diff hist +4,733 Lammps and plumed No edit summary
- 11:2911:29, 26 May 2021 diff hist +34 N File:BMIMOTf.zip BMIMOTf lammps example with plumed current
- 11:1811:18, 26 May 2021 diff hist +1,271 Lammps and plumed No edit summary
- 10:0410:04, 26 May 2021 diff hist +822 Lammps and plumed →Using LAMMPS
- 09:4809:48, 26 May 2021 diff hist +44 N File:Simple example.zip single TFSI anion for lammps and also plumed current
- 09:4409:44, 26 May 2021 diff hist +828 N Lammps and plumed Created page with "This wiki serves as an overview of how to use the PLUMED<ref>The Plumed Consortium. (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Natur..."
26 October 2020
- 14:5114:51, 26 October 2020 diff hist +31 Third year simulation experiment →Assessment
- 09:1709:17, 26 October 2020 diff hist +54 Third year simulation experiment →Assessment
- 09:1509:15, 26 October 2020 diff hist +59 Third year simulation experiment →Assessment
12 October 2020
- 15:3315:33, 12 October 2020 diff hist +543 Third year simulation experiment →Assessment
- 15:1515:15, 12 October 2020 diff hist +43 Third year simulation experiment/Dynamical properties and the diffusion coefficient →Simulations in this Section current
3 October 2020
- 10:0210:02, 3 October 2020 diff hist +46 Third year simulation experiment No edit summary
- 10:0110:01, 3 October 2020 diff hist +32 Third year simulation experiment No edit summary
- 09:5809:58, 3 October 2020 diff hist +247 Third year simulation experiment/Equilibration →Creating the simulation box
- 09:5409:54, 3 October 2020 diff hist +1 Third year simulation experiment/Files to download →Getting the files for the experiment
- 09:5309:53, 3 October 2020 diff hist +299 Third year simulation experiment/Files to download →Getting the files for the experiment
- 09:4909:49, 3 October 2020 diff hist −973 Third year simulation experiment/Files to download →Logging into the HPC Portal
- 09:4709:47, 3 October 2020 diff hist −1 Third year simulation experiment No edit summary
- 09:4609:46, 3 October 2020 diff hist +677 Third year simulation experiment No edit summary
- 08:0808:08, 3 October 2020 diff hist 0 Third year simulation experiment/Equilibration →What does it mean for a simulation to "reach equilibrium"? Why is this important in terms of sampling form an ensemble using molecular dynamics? [2]
- 08:0008:00, 3 October 2020 diff hist +613 Third year simulation experiment/Files to download →Logging into the HPC Portal
- 07:5707:57, 3 October 2020 diff hist +360 Third year simulation experiment/Files to download →Logging into the HPC Portal
- 07:5307:53, 3 October 2020 diff hist −7 Third year simulation experiment/Files to download No edit summary
- 07:5307:53, 3 October 2020 diff hist +7 Third year simulation experiment →Introduction
- 07:5207:52, 3 October 2020 diff hist −50 Third year simulation experiment →Introduction
30 May 2020
- 07:5307:53, 30 May 2020 diff hist +3 MRD:mb7418 →EXERCISE 1: H + H2 system current
- 07:5007:50, 30 May 2020 diff hist +468 MRD:mb7418 No edit summary
27 May 2020
- 07:5807:58, 27 May 2020 diff hist +490 MRD:01504509 →Molecular Reaction Dynamics: Applications to Triatomic systems current
- 07:5607:56, 27 May 2020 diff hist +328 MRD:01504509 →Question 10
- 07:5407:54, 27 May 2020 diff hist +245 MRD:01504509 →answer
- 07:5107:51, 27 May 2020 diff hist +96 MRD:01504509 →answer
- 07:4407:44, 27 May 2020 diff hist +324 MRD:01504509 →answer
- 07:4307:43, 27 May 2020 diff hist +278 MRD:01504509 →answer
- 07:4107:41, 27 May 2020 diff hist +182 MRD:01504509 →answer:
- 07:3907:39, 27 May 2020 diff hist +555 MRD:01504509 →Question 5
- 07:3507:35, 27 May 2020 diff hist +280 MRD:01504509 →Question 5
- 07:3207:32, 27 May 2020 diff hist +146 MRD:01504509 →answer
- 07:3107:31, 27 May 2020 diff hist +204 MRD:01504509 →answer
- 07:2907:29, 27 May 2020 diff hist +210 MRD:01504509 →answer
- 07:2607:26, 27 May 2020 diff hist +399 MRD:01504509 →answer
- 07:2307:23, 27 May 2020 diff hist +294 MRD:01504509 →answer