United-atom model: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) No edit summary |
Carl McBride (talk | contribs) No edit summary |
||
| Line 1: | Line 1: | ||
In the '''united-atom model''' the <math>CH_2</math> and <math>CH_3</math> units | In the '''united-atom model''' the <math>CH_2</math> and <math>CH_3</math> units | ||
are treated as one point, i.e. the hydrogen atoms are incorporated within | are treated as one point, i.e. the hydrogen atoms are incorporated within | ||
the carbon atoms and are not expressed explicitly. | the carbon atoms and are not expressed explicitly. Many [[force fields]] | ||
make use of this approximation in order to reduce the computational | |||
overheads. | |||
==References== | ==References== | ||
[[Category: Models]] | [[Category: Models]] | ||
Revision as of 12:09, 29 May 2007
In the united-atom model the Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle CH_2} and units are treated as one point, i.e. the hydrogen atoms are incorporated within the carbon atoms and are not expressed explicitly. Many force fields make use of this approximation in order to reduce the computational overheads.
