DL_POLY_2 adaptations for solvation studies

DOI10.1080/08927022.2010.517531zbMath1221.82002OpenAlexW1980363297MaRDI QIDQ3019830

No author found.

Publication date: 29 July 2011

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/08927022.2010.517531

zbMATH Keywords

free energymolecular dynamicsspectroscopysolvationsoftware tool \texttt{DL\_POLY\_2}

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Foundations of thermodynamics and heat transfer (80A05) Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Uses Software

• CHARMM
• DL_POLY

Cites Work

• Unnamed Item
• DL_POLY: Application to molecular simulation

This page was built for publication: DL_POLY_2 adaptations for solvation studies