The impact of using single atomistic long range cutoff schemes with the GROMOS 54A7 force field
Silva, Tomás F. D., Vila-Viçosa, Diogo, Reis, Pedro B. P. S., Victor, Bruno L., Diem, Matthias, Oostenbrink, Chris, Machuqueiro, MiguelLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00758
Date:
October, 2018
File:
PDF, 2.14 MB
english, 2018