http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=MOIL 2026-04-07T13:54:17Z Revision history for this page on the wiki MediaWiki 1.41.0 http://www.sklogwiki.org/SklogWiki/index.php?title=MOIL&diff=10481&oldid=prev 2010-08-04T13:11:49Z

<p>New page: &#039;&#039;&#039;MOIL&#039;&#039;&#039; &lt;ref&gt;[http://dx.doi.org/10.1016/0010-4655(95)00047-J Ron Elber, Adrian Roitberg, Carlos Simmerling, Robert Goldstein, Haiying Li, Gennady Verkhivker, Chen Keasar, Jing Zhang and...</p> <p><b>New page</b></p><div>&#039;&#039;&#039;MOIL&#039;&#039;&#039; &lt;ref&gt;[http://dx.doi.org/10.1016/0010-4655(95)00047-J Ron Elber, Adrian Roitberg, Carlos Simmerling, Robert Goldstein, Haiying Li, Gennady Verkhivker, Chen Keasar, Jing Zhang and Alex Ulitsky &quot;MOIL: A program for simulations of macromolecules&quot;, Computer Physics Communications &#039;&#039;&#039;91&#039;&#039;&#039; pp. 159-189 (1995)]&lt;/ref&gt; supports the usual set of tools for molecular modelling by classical mechanics, including energy calculations, energy minimization, [[molecular dynamics]], and more. Code is available to simulate curve crossing within the Landau Zener model. Moil allows for reasonably straightforward conversion of PDB files to computable datasets (coordinate and energy templates).<br /> <br /> MOIL includes Locally Enhanced Sampling Approach and reaction path and long time dynamics algorithms that are based on action optimization. Also included the recently developed [[milestoning]] approach for the calculation of kinetics and thermodynamics along a reaction coordinate. The integration of a [[Coarse graining |coarse-grained]] model into moil is also a feature.<br /> ==References==<br /> &lt;references/&gt;<br /> ==External links==<br /> *[http://cbsu.tc.cornell.edu/software/moil/moil.html MOIL Home Page]<br /> <br /> [[Category: Materials modelling and computer simulation codes]]</div>

Carl McBride