ACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS
نویسندگان
چکیده
منابع مشابه
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the AMBER force field and parameters, is presented. All pertinent force field terms have been explicitly specified and so no default or generic parameters are employed. The new GLYCAM is no longer limited to any particular class of biomolecules, but is extendible to all ...
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ژورنال
عنوان ژورنال: SoftwareX
سال: 2019
ISSN: 2352-7110
DOI: 10.1016/j.softx.2019.100241