<div>Hi, Mark,</div>
<div> Thanks for your reply.</div>
<div> You mean g_potential in the program lists? </div>
<div> It is related with electric field but can not give the local electric field, isn't it?<br></div>
<div>Regards,</div>
<div> </div>
<div>zgzhang</div>
<div> </div>
<div class="gmail_quote">
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Message: 4<br>Date: Thu, 04 Dec 2008 19:26:40 +1100<br>From: Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>><br>
Subject: Re: [gmx-users] How to calculate the local electric field?<br>To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>Message-ID: <<a href="mailto:49379440.3030605@anu.edu.au">49379440.3030605@anu.edu.au</a>><br>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed<br><br>Zhang Zhigang wrote:<br>> Hi, all,<br>> Is it possible to use an established program in Gromacs 4.0 package<br>> to analysis the distributions of the local electric fields?<br>
> Let me explain the situation clearer as following:<br>> In a pure water system, each molecule would "feel" a local electric<br>> field (from the other molecules). Now I want to know the statistical<br>
> distribution and dynamics of the local electric fields that acts on the<br>> hydrogen atoms.<br>> I would really appreciate if any one can tell me where I can find<br>> the program directly without additional laborious programing.<br>
<br>First port of call should be searching the manual. Section 7.4 has the<br>names of the utility programs sorted roughly by topic, which can guide<br>you to look up better information. There's one utility there that might<br>
be useful.<br><br>Mark<br><br></blockquote></div>