TUPÃ: Electric field analyses for molecular simulations
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26873
Abstract: We introduce TUPÃ, a Python‐based algorithm to calculate and analyze electric fields in molecular simulations. To demonstrate the features in TUPÃ, we present three test cases in which the orientation and magnitude of the electric… read more here.
Keywords: electric field; tup electric; analyses molecular; molecular simulations ... See more keywords