[gmx-users] Calculation of Static Structure Factor in GROMACS-5.0.7

Dallas Warren dallas.warren at monash.edu
Fri Oct 19 03:31:24 CEST 2018

List of analysis can perform using GROMACS can be found at

Highly recommend when you start using GROMACS you read through the entire
thing, amazing what you can find that might be useful for your research
that didn't even consider.


Try using a search engine....


On Thu, 18 Oct. 2018, 3:32 pm Saumyak Mukherjee, <
mukherjee.saumyak50 at gmail.com> wrote:

> Dear Users,
> I want calculate the static structure factor of water in GROMACS-5.0.7.
> Which module shall I use for that?
> In gmx rdf there is an output option "-hq". What is the meaning of this
> output?
> Any help is highly appreciated.
> Regards,
> Saumyak
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