Path D - Module 44: AMBER TLeap Integration

Parametrize the channel with ff14SB and the POPC lipids with Lipid17. In this module, you will learn to use MolSysMT as an AMBER orchestrator.

import molsysmt as msm
molsys = msm.convert('pdb:1K4C', to_form='molsysmt.MolSys')
# msm.thirds.tleap.prmtop_and_inpcrd(molsys, forcefield='ff14SB')