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OMPF subunit 2 ns BD simulation (top)

LINCS implemented for Brownian dynamics simulation tool with non-periodic Poisson solver (PM force) and including Coulombic and Van der Waals interactions (PP force). No explicit constraint on dihedrals/angles in this one.

This is an ongoing investigation effort at the Electrical Engineering dept of Arizona State University, by the Computational Bioelectronics group (supported by the National Institute of Health). Investigated by Mr Alex Smolyanitsky ( ASU EE, shura@asu.edu), Dr. Marco Saraniti (ASU EE, Marco.Saraniti@asu.edu), 3D rendered by Mr. Nicolas Faralli (ASU EE, faranic@asu.edu).

Related article :

S. Aboud, D. Marreiro, M. Saraniti, and R. Eisenberg, “A Poisson P3M Force Field Scheme for Particle-Based Simulations of Ionic Liquids,” Journal of Computational Electronics, Vol. 3, No. 2, pp. 117-133, 2004.

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