๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Use of Umbrella Sampling in the Calculation of the Potential of Mean Force for Maltose in Vacuum From Molecular Dynamics Simulations

โœ Scribed by Schmidt, R. K.; Teo, B.; Brady, J. W.

Book ID
121200372
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
993 KB
Volume
99
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Implementation of an adaptive umbrella s
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution
โœ Ramkumar Rajamani; Kevin J. Naidoo; Jiali Gao ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 120 KB

## Abstract We describe the implementation of an adaptive umbrella sampling method, making use of the weighted histogram analysis method, for computing multidimensional potential of mean force for chemical reaction in solution. The approach is illustrated by investigating the effect of aqueous solu