Abstract
The paper describes the application porting process onto the EGEE grid of GROMACS package that was carried out using the P-GRADE Grid Portal tool implemented in COMPCHEM. For this purpose a new stategy to access local and distributed resources has been designed and a set of visualization tools has been implemented in order to help chemical insight. © 2010 Springer-Verlag Berlin Heidelberg.
Cite
CITATION STYLE
Costantini, A., Gutierrez, E., Cacheiro, J. L., Rodriguez, A., Gervasi, O., & Laganà, A. (2010). Porting of GROMACS package into the Grid environment: Testing of a new distribution strategy. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 6019 LNCS, pp. 41–52). Springer Verlag. https://doi.org/10.1007/978-3-642-12189-0_4
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