tutorials

Extending Force Fields

Posted by on February 24, 2011 at 11:34 am

A common, and time-consuming, task in molecular simulation is creating entries for new molecules for a given force-field. The antechamber program from the Amber suite of tools handles most of the details of this process for Amber related force-fields. However to use it with Adun its output still needs to be converted to the FFML [...]

Updated Quickstart Guide

Posted by on October 11, 2010 at 9:48 am

The quickstart guide has been updated to reflect the current cvs version of Adun and links added to relevant sections of the user manual. A further update in the works will replace the “toy” examples it contains with more relevant information.