Input files for book chapter in Methods in Molecular Biology
The chapter describes protocols for preparing, performing, and running polarizable MD simulations of a protein in water and transmembrane helical peptides in POPC. Input files provided here are to be used with CHARMM, NAMD, and OpenMM.
The protocols have been performed and validated with:
- CHARMM 43b1
- NAMD 2.13
- OpenMM 7.3
- 15 May 2020: Initial repository created, lysozyme files curated