Contribution to a conference proceedings/Contribution to a book

FZJ-2014-04419

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Graphical Interface for Large-Scale Molecular Dynamics Simulations

Boryczko, K. (Corresponding Author) ; Mohr, B.FZJ* ; Kitowski, J. ; Moscinski, J. ; Popiela, G.

1997

Abstract: In this paper, we present a graphical system for pre- and post-processing of a molecular dynamics simulation. The purpose of the system is twofold: preparation of input data for simulation and off-line visualization of the simulation results.In the preparation mode the initial configuration of the particle system is defined for different kinds of particles. In the visualization mode one simultaneously can observe subsequent time-step frames of 3D particle dynamics in several user defined perspectives. Zooming and file generation were recently added to the system. The system is written in C and is based on the Motif library.In future, the system will be extended to generate files in MPEG and other formats using a parallel algorithm.

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Contributing Institute(s):

1. Zentralinstitut für Angewandte Mathematik (ZAM)
2. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 899 - ohne Topic (POF2-899) (POF2-899)

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