[gmx-users] Re: Re: How to calculate the local electric field?
zgzhangcn at gmail.com
Thu Dec 4 13:38:06 CET 2008
Thanks for your reply.
You mean g_potential in the program lists?
It is related with electric field but can not give the local electric
field, isn't it?
> Message: 4
> Date: Thu, 04 Dec 2008 19:26:40 +1100
> From: Mark Abraham <Mark.Abraham at anu.edu.au>
> Subject: Re: [gmx-users] How to calculate the local electric field?
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <49379440.3030605 at anu.edu.au>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
> Zhang Zhigang wrote:
> > Hi, all,
> > Is it possible to use an established program in Gromacs 4.0 package
> > to analysis the distributions of the local electric fields?
> > Let me explain the situation clearer as following:
> > In a pure water system, each molecule would "feel" a local electric
> > field (from the other molecules). Now I want to know the statistical
> > distribution and dynamics of the local electric fields that acts on the
> > hydrogen atoms.
> > I would really appreciate if any one can tell me where I can find
> > the program directly without additional laborious programing.
> First port of call should be searching the manual. Section 7.4 has the
> names of the utility programs sorted roughly by topic, which can guide
> you to look up better information. There's one utility there that might
> be useful.
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