[gmx-users] Tetrahedral order parameter

Justin Lemkul jalemkul at vt.edu
Tue Aug 20 14:26:00 CEST 2019



On 8/20/19 7:51 AM, Omkar Singh wrote:
> Hello gromacs users,
> I am working on protein-water system.  I am trying to calculate
> top(tetrahedral order parameter) by "gmx hydorder" command. After finding
> xpm how to proceed for xvg format.

gmx hydorder does not produce such output. You may want to look into 
other optional output files like -or for raw data output, but I have no 
idea what is in that file or if it is what you need.

-Justin

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Justin A. Lemkul, Ph.D.
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