[gmx-users] calculation of the order parameter S2

[Dechang Li]

Dear all, 

    I want to use g_rotacf to calculate the order parameter(S2, N-H bond in main chian).
The tool g_rotacf needs an index.ndx file that contains two vectors. How can I make the 
index.ndx file? Can I use the tool make_ndx to do this? Or I need to write the file manually?
 



Best regards,
2009-1-4


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Dechang Li, PhD Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
PR China 

Tel:   +86-10-62773779(O) 
Email: li.dc06 at gmail.com
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