[gmx-users] How to calculate the local electric field?
Mark.Abraham at anu.edu.au
Thu Dec 4 09:26:40 CET 2008
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
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