[gmx-users] How to Calculate tetrahedral order parameter
David van der Spoel
spoel at xray.bmc.uu.se
Tue Sep 3 13:53:58 CEST 2019
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-
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.
More information about the gromacs.org_gmx-users