Supporting NAMD application on the grid using GPE

Molecular simulations are playing important role in understanding the mechanisms at microscopic level of all organisms. Increasing computer power available at single computers is still not enough for the molecular simulations. In this case, the grid middleware which has the ability to distribute calculations in a seamless and secure way over different computing systems becomes an immediate solution. In this paper we present GridBean developed for NAMD application which is commonly used for molecular simulations. The CridBean is designed with standards of Grid Programming Environment (GPE) currently being developed and based on the latest versions of Globus and UNICORE middlewares.