Open AccessACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS
Author(s) -
Austen Bernardi,
Roland Faller,
Dirk Reith,
Karl N. Kirschner
Publication year - 2019
Publication title -
softwarex
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 21
ISSN - 2352-7110
DOI - 10.1016/j.softx.2019.100241
Subject(s) - dihedral angle , force field (fiction) , scaling , network topology , computer science , computational science , topology (electrical circuits) , field (mathematics) , molecular dynamics , physics , computational chemistry , chemistry , mathematics , quantum mechanics , molecule , combinatorics , geometry , hydrogen bond , artificial intelligence , pure mathematics , operating system
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