Project Application Details

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
ivan.ramos-sasselli@strath.ac.uk
University of Strathclyde
+44 (0) 1415482261
PhD Student (Marie Curie Research Fellow)

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