CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.

Abhishek A. Kognole Jumin Lee Sang-Jun Park Sunhwan Jo Payal Chatterjee Justin A. Lemkul Jing Huang 0004 Alexander D. MacKerell Jr. Wonpil Im CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. 359-375 2022 43 J. Comput. Chem. 5 https://doi.org/10.1002/jcc.26795 db/journals/jcc/jcc43.html#KognoleLPJCLHMI22