RE: [gmx-users] How to change the box size during simuation

From: "WU Yanbin" <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users 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

Re: [gmx-users] How to change the box size during simuation

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 <[EMAIL PROTECTED]> To: gmx-users@gromacs.org Sent: Tuesday, October 9, 2007 11:40:21 PM Subject: [gmx-users] How to change the box size

[gmx-users] How to change the box size during simuation

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? Thanks in advance. Yours Sincerely,