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Molecular dynamics evaluation of cell models for type I gas hydrate crystal dynamics

โœ Scribed by P.K. Basu; Raymond D. Mountain

Book ID
103234932
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
153 KB
Volume
49
Category
Article
ISSN
0022-3697

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## Abstract A realistic representation of water molecules is important in molecular dynamics simulation of proteins. However, the standard method of solvating biomolecules, that is, immersing them in a box of water with periodic boundary conditions, is computationally expensive. The primary hydrati