TY - RPRT TI - gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations AU - Irrgang, M. E. AU - Hays, J. M. AU - Kasson, P. M. PY - 2018 DO - 10.1101/306043 UR - https://www.biorxiv.org/content/10.1101/306043v1 ID - 10.1101/306043 ER -