Thanks!<br><br>
<div class="gmail_quote">2009/2/24 Berk Hess <span dir="ltr"><<a href="mailto:gmx3@hotmail.com">gmx3@hotmail.com</a>></span><br>
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<div>Hi,<br><br>Setting<br>epsilon_r = 0<br>in your mdp file will turn off all electrostatics.<br>If you are concerned about efficiency, you should set all charges<br>in your topology to zero.<br><br>Berk<br><br>
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Date: Tue, 24 Feb 2009 09:49:25 +0200<br>Subject: Re: [gmx-users] Turning off electrostatic or Van der Waals interactions<br>From: <a href="mailto:omermar@gmail.com" target="_blank">omermar@gmail.com</a><br>To: <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>
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<div>Why not create "dummy" topologies, without charges/vdw ?<br>Another option, which I am not sure of its effect, is, perhaps, to take extremely small cutoffs.<br>--Omer.<br> </div>
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<div>Lee Soin wrote:<br>
<blockquote style="PADDING-LEFT: 1ex">I'm trying to rule out the effect of electrostatic or Van der Waals interactions while performing a simulation. Do you mean that I should modify the code and re-compile?<br><br></blockquote>
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</blockquote></div><br><br clear="all"><br>-- <br>Sun Li<br>Department of Physics<br>Nanjing University, China<br>