[gmx-users] g_rdf (structural factors)
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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