[gmx-users] the growth of the molecule

Smith, Micholas D. smithmd at ornl.gov
Mon Sep 15 19:30:56 CEST 2014


Not really. It doesn't allow the formation of chemical bonds (as it is based on classical mechanics). 

-Micholas
_______________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Александр Селютин <saga111a at gmail.com>
Sent: Monday, September 15, 2014 1:27 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] the growth of the molecule

Can the gromacs simulate the growth of the molecule?
For example, does it allow to add units to the polymer chain at certain
times?
More specifically, it is the increase the chain length of the polyethylene.

Thanks!
--
Regards,
Alexander Selyutin
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