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

2018-10-18 Thread Dallas Warren
List of analysis can perform using GROMACS can be found at http://manual.gromacs.org/documentation/2018/user-guide/cmdline.html 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

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

2018-10-17 Thread Saumyak Mukherjee
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 -- Gromacs Users mailing list * Please