[gmx-users] How to Calculate tetrahedral order parameter

[Soham Sarkar]

Sorry, I forgot to mention that I have two systems. One consists of
protein-water and the other one consists of protein-water-urea. I need to
calculate the tetrahedral order parameter of water around the protein
within 0.4nm for these two systems.
Thanks and regards-
Soham

On Tue, 3 Sep 2019, 5:24 pm David van der Spoel, <spoel at xray.bmc.uu.se>
wrote:

> Den 2019-09-03 kl. 13:26, skrev Soham Sarkar:
> > Dear all,
> >          I know this question was asked by many users before but
> searching
> > them all I did not get how to perform it in GROMACS. Please help me with
> > this. Is there any in built command line exist for Tetrahedral order
> > parameter calculation? If gmx hydorder is the existing tool for
> calculating
> > tetrahedral order parameter, went through this I did not understand the
> > usage of it too.
> > Thanks in advance-
> > Soham
> >
> What system, water?
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> http://www.icm.uu.se
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