ARCHIE Project title: | 100GB |
Project PI: | 295 CATHEDRAL STREET Thomas Graham Building TG712 |
Department: | 25 October 2013 |
Address: | 295 CATHEDRAL STREET, Thomas Graham Building TG712, open-source software, G1 1XL |
Relevant industrial collaborations: | |
Existing relevant KTP activities: | |
Does the PI require to run calculations? | 1 |
Number of users involved in the project: | 2-4months |
User 1 details: |
Ivan Ramos-Sasselli |
Service level requested: | |
ARCHIE Project description: | 100GB |
Potential output of the project: |
The aim is to publish a final parameterization of Fmoc for these two force fields. |
Project start date: | 25 October 2013 |
Duration of the project: | 2-4months |
Total CPU time required (in hours): | 200000 |
CPU hours required by typical job: | 1 |
Approximate amount of data created per job (in GB): | |
Approximate amount of data created per project: | 100GB |
Funding Agency Grant Reference No: | |
pFact ID: | |
RKES ID: | |
Software required for the project: | open-source software |
Software required to be installed for the project: | GROMACS 4.6.3 |
Experience in using software package 1: | |
Software required to be installed for the project: | |
Experience in using software package 2: | 1 |
Software required to be installed for the project: | |
Experience in using software package 3: | 1 |
Training required: | Basic Linux, Basic of using HPC, Molecular Dynamics calculations in NAMD, Visualisation in VMD, Scripting languages, Quantum calculations |
Other training required: | |
Experience in using HPC: | 2 |