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Commercial codes usually come with a licencing mechanism in order to restrict their use. The lack of license management schemes is becoming a major obstacle for the commercial exploitation of existing Grid infrastructures. In this paper we present a complete license management architecture that enables a pay per use license management, which can be deployed together with an on-demand computing scenario. In order to cover the entire license management process, a complete Grid-friendly license management architecture was implemented and is presented here. The license management architecture we present is based on the re- quirements we collected from 18 real buisness applications. The Grid-friendly solution that we developed has various bene ts that we believe will lead to a fast adoption by independent software vendors (ISVs) and their clients and hence pave the way for commercial applications in grid environments

In this contribution we introduce the technical concept and implementation details concerning the front end of our force-field optimization workflow package for intramolecular degrees of freedom, called Wolf2Pack. The package's design follows our belief that parameter optimization should be a user-driven, but program guided, workflow with specific modular tasks that reduce human errors and save time. Through this design, parameter optimization becomes more reliable and reproducible. Wolf2Pack can integrate common force fields from different research areas, allowing the user to optimize balanced parameters; alternatively users can develop highly specialized force fields that suite their chemical systems. Included in the package's front end is a force-field and molecular database whose contents facilitate parameter optimization. Wolf2Pack can be accessed at www.wolf2pack.com.

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