[gmx-users] Tetrahedral Order Parameter

Dallas Warren dallas.warren at monash.edu
Thu Sep 19 00:32:10 CEST 2019

I can't provide advice directly, but more generally ... try things out,
experiment. All it takes is a bit of time and it will help you get a better
understanding of how things work. Plus you will get further faster doing it
yourself, rather than waiting a day or two for someone else to respond with
some help, which may or may not be exactly what you are after. If you still
can't figure it out, post exactly what you have done, what the output was,
how it deviated from what expected etc.

Plus you should be able to find a few instances of others using the command
via a web search.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a

On Thu, 19 Sep 2019 at 06:36, m g <dr_m_ganj at yahoo.com> wrote:

> Dear Justi,I want to calculate the Tetrahedral Order Parameter (Q) for
> water in my simulation system. I used "gmx hydorder" command but it is not
> clear for me. what kinds of flag must be use exactly? how can I set correct
> number for "-sgang1 and -sgang2" flags? This command is very confusing. how
> can I get Q?Thanks,Sana
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