I tried by that. But i was suffering for making .xyz file for my system
because I have lots number of frame around 8000.
Can you tell me how can I make that kind of fu.XYZ .
Thank you
On Tue, Nov 19, 2019, 16:23 Christian Blau wrote:
> Hi Omar,
>
>
> Though I don't know of any GROMACS tool
Hi Omar,
Though I don't know of any GROMACS tool that can calculate the local structure
index, some third-party tool might help, like
https://pypi.org/project/iOrder/
The input file format for above tool is .xyz which you can obtain from a
GROMACS trajectory using the MDAnalysis tools
