[gmx-users] How to change the box size during simuation
anoddlad at yahoo.com
Wed Oct 10 10:47:41 CEST 2007
You can apply external forces to subsets of atoms, in such a way as to cause your box to shrink by itself.
----- Original Message ----
From: WU Yanbin <wuyb02 at gmail.com>
To: gmx-users at gromacs.org
Sent: Tuesday, October 9, 2007 11:40:21 PM
Subject: [gmx-users] How to change the box size during simuation
Now I'm simulating infinite molecules. I want to change the box size a lit bit every time step so as to induce some stress in this system.
Is there any way in gromacs to do this, apart from modifying the code? Thanks in advance.
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