[gmx-users] Advanced Simulation Analysis

[simon sham]

Hi,
I have been trying to follow the tutorial posted by David van der Spoel to generate the order parameters at:
https://extras.csc.fi/chem/courses/gmx2007/analysis/index.html

When I ran "g_rotacf", I got the following message:

Fatal error:
Number of index elements not multiple of 2, these can not be atom doublet.

Has anyone tried that tutorial?

Best,

Simon Sham 



      
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