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. 2020 Jul 30;153(4):044130. doi: 10.1063/5.0014475

FIG. 1.

FIG. 1.

Workflow architecture of a NAMD simulation. The blue boxes denote the core physical details of the simulation, the orange boxes denote the features that are embedded in the code (written in C++), and the green boxes denote the features that are fully implemented through user scripts (written in Tcl or Python).