GROMOS

GROMOS

Frederic P. Miller, Agnes F. Vandome, John McBrewster

     

бумажная книга



Издательство: Книга по требованию
Дата выхода: июль 2011
ISBN: 978-6-1339-0907-6
Объём: 76 страниц
Масса: 135 г
Размеры(В x Ш x Т), см: 23 x 16 x 1

High Quality Content by WIKIPEDIA articles! GROMOS is a force field for molecular dynamics simulation developed at the University of Groningen and at Computer-Aided Chemistry Group at the Laboratory for Physical Chemistry at the ETH Zurich. The united atom force field was optimized with respect to the condensed phase properties of alkanes. GROMOS is also the name for the molecular dynamics simulation package associated with this force field. Aliphatic and aromatic hydrogen atoms were included implicitly by representing the carbon atom and attached hydrogen atoms as a single group centered on the carbon atom, a united atom force field. The van der Waals parameters were derived from calculation of the crystal structures of hydrocarbons and calculations on amino acids using short (0.8-nm) nonbonded cutoff radii.

Данное издание не является оригинальным. Книга печатается по технологии принт-он-деманд после получения заказа.

Каталог