autosolvate.generatetrajs.writeMMNVEInput

autosolvate.generatetrajs.writeMMNVEInput(stepsmmnve=10000, freeze_solute=False)

Write Amber MM NVE input file

Parameters:

stepsmmnve (int, Optional, default: 10000) – Number of MM steps for NVE.

Returns:

Result stored as mmnve.in

Return type:

None