[gmx-users] g_rdf (structural factors)

Valentin Gogonea v.gogonea at csuohio.edu
Wed Jul 10 21:41:28 CEST 2002

Dear gromacs users,

I am trying to calculate structural factors with g_rdf. Where can I read 
more about the definition of these structural factors? Are these 
obtained from experiment?

What kind of file is .tps ? How can be obtained or made? Running g_rdf I 
got the following error with -sq option:

Fatal error: Need a tps file for calculating structure factors

Thank you for your comments.


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