| ARCHIE Project title: | 75GB |
| Project PI: | 295 Cathedral Street |
| Department: | 02/11/12 |
| Address: | 295 Cathedral Street, , open-source software, G1 1XL |
| Relevant industrial collaborations: | |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 8 |
| Number of users involved in the project: | 1 week |
| User 1 details: |
Mr Daniel Cannon |
| Service level requested: | |
| ARCHIE Project description: | 75GB |
| Potential output of the project: |
The results from the study will initially be used to identify the best candidates for synthesis and testing. Subsequently, the results will help validate our argument for catalytic activity of certain dodecapeptides and the experimental and computational methods used to identify them. We intend to publish the findings of this study in conjunction with the experimental work. |
| Project start date: | 02/11/12 |
| Duration of the project: | 1 week |
| Total CPU time required (in hours): | 90000 |
| CPU hours required by typical job: | 8 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | 75GB |
| 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: | NAMD |
| Experience in using software package 1: | |
| Software required to be installed for the project: | VMD |
| Experience in using software package 2: | 8 |
| Software required to be installed for the project: | |
| Experience in using software package 3: | 1 |
| Training required: | |
| Other training required: | |
| Experience in using HPC: | 7 |