Table 1. Configuration file settings depending on different simulation environment.

Environment	PBC	Long Range Electrostatics	Constant Area	Remarks
Vacuum	OFF	Cut-off	NA	Dielectric constant 80
Implicit Solvent	OFF	GBIS60	NA	Several parameters necessary for Generalized Born Implicit Solvent (GBIS) method
Explicit Water Solution	ON	PME57	NA	System is solvated in a cubic box
Explicit Membrane	ON	PME57	Available	Available in the “Advanced Run” tab

(PBC: Periodic Boundary Condition; GBIS: Generalized Born Implicit Solvent; PME: Particle-Mesh Ewald).