NAMD_Large_System_Simulations_Chromatophore

Published: 11-10-2019| Version 1 | DOI: 10.17632/hh3kv79k7w.1
Contributors:
Abhishek Singharoy,
John Vant

Description

Contained herein are scripts for making all-atom models of a Rhodobacter sphaeroides chromatophore. Also, configuration scripts for Molecular Dynamics (MD) and Brownian Dynamics (BD) simulations of the aforementioned model using the simulation package NAMD. Additionally, there are scripts to run APBS calculations. Below are links to the chromatophore structure file, gridpdb file and map file required to run the NAMD simulation. https://drive.google.com/a/asu.edu/file/d/10gVADYl320HJiNoe4ilagAKoI7UeR638/view?usp=sharing https://drive.google.com/a/asu.edu/file/d/1MZpm3ABXIPjfbKYLOZOSKbmQJZx4yma1/view?usp=sharing https://drive.google.com/a/asu.edu/file/d/1v9Ni3OlrG45qfA5bO2meIc5xwxT8A1En/view?usp=sharing Below here is a link to the Movies for the submitted manuscript. https://drive.google.com/a/asu.edu/file/d/1N4GmSsWBGxJVrYXVWBHhP-Stf5ASWkZx/view?usp=sharing

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