ISSN:
1573-0484
Keywords:
Ewald
;
parallel
;
T3E
;
simulation
;
electrostatic
;
molecular dynamics
;
PME
Source:
Springer Online Journal Archives 1860-2000
Topics:
Computer Science
Notes:
Abstract We report our work to parallelize the Particle Mesh Ewald (PME) method to compute the long-range electrostatic interactions in the molecular dynamics program AMBER and to extend the scalability of the PME method to hundreds of processors.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1007907925007
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