Talk:Molecular mechanics

message: I noticed that Biophys wrote about polarizability being included into MM. I always conceived of polarizability as inherently dynamic. But of course its timescales should be faster than molecular motion. There are MD force fields that explicitly account for polarizability. How do these methods work in MM? Jorgenumata 10:09, 20 November 2006 (UTC)
replies: text: Of course you are right that polarizability (and especially its orientational comonent) is dynamic. That is why there is no way to reproduce it in MM. My personal opinion is that polarizable force fields do not work too well at the moment.  But I did not do any serious research here.  If you find any publications were people were able to reproduce (by MD simulations!) the temperature dependence of macroscopic dielectric constant for different materials (this dependence is opposite for liquids and solids), that would be an  indication that polarizable force fields are working. Biophys 14:43, 20 November 2006 (UTC)
thread_title: Polarizability

message: The discussion below under the topic of "Redundancy" brought this up (about nine years ago, it looks like), but it seems to have been ignored since; I'm making a base-level topic of it to bring attention to the issue. 208.85.32.249 (talk) 03:17, 28 July 2015 (UTC)
thread_title: Explanation of Molecular Mechanics versus Molecular Dynamics Still Needed

message: Suggest the term "Force field" should occur somewhere in this article, and that there be a link to the Force field (chemistry) page
:It is mentioned and linked, although perhaps not prominently enough. Itub 11:38, 28 June 2006 (UTC)
replies: text:  I fixed this. I also did not like second phrase (removed). It mixes MM and MD. Besides, Monte Carlo can be applied for ligand docking. The phrase could be O'K if formulated better.  Biophys 23:20, 4 November 2006 (UTC)
thread_title: Force field link

message: The paragraph is highly redundant--92.205.19.67 (talk) 10:35, 12 February 2014 (UTC)
replies: text: Agree that better connection/integration to/with the force field material needs to occur, but disagree that MM should not appear as a separate article (see all preceding discussion above). Please remove tag at earliest opportunity. LeProf  — Preceding unsigned comment added by Leprof 7272 (talk • contribs) 00:21, 24 February 2014 (UTC)
thread_title:  Merge with [[Force field (chemistry)]] 

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thread_title:  External links modified