From: "WU Yanbin" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: gmx-users@gromacs.org
Subject: [gmx-users] How to change the box size during simuation
Date: Tue, 9 Oct 2007 17:40:21 -0500
Hey,
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?
You can use pressure coupling to apply a stress and induce a strain
or you can use the deform option to apply a strain and induce stress.
Berk.
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