Simulation input files for "Implementation of SPICA/pSPICA Coarse-Grained Models in GENESIS for Large-Scale Molecular Dynamics Simulations"

This repository contains all necessary simulation input files (initial structure/coordinate files, topology/parameter files, and control scripts) required to reproduce the molecular dynamics simulations reported in the paper: Title: Implementation of SPICA/pSPICA Coarse-Grained Models in GENESIS for Large-Scale Molecular Dynamics Simulations Authors: Jaewoon Jung, Ryo Urano, Yangyang Zhang, Yusuke Miyazaki, Wataru Shinoda, and Yuji Sugita Journal: Journal of Chemical Theory and Computation (JCTC) The coarse-grained simulations using the SPICA and pSPICA force fields were performed with GENESIS. These input files are fully compatible with GENESIS 2.2 (available at https://github.com/genesis-release-r-ccs/genesis).