United-atom model: Difference between revisions
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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 13:09, 29 May 2007
In the united-atom model the 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.
