Knowledge Base

Article ID: 916 - Last Modified:

Have liquids such as chloroform and DMSO have been validated with OPLS_2005?

A comparison of densities and enthalpies of vaporization for 106 liquids predicted with the OPLS_2005 force field showed very little difference from the results predicted with OPLS-AA. Since OPLS-AA was parameterized to reproduce these properties, we believe that OPLS_2005 should also perform well on pure liquids.

Keywords: Force field, liquids

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles