[gmx-users] (no subject)
OZENGIN at KU.EDU.TR
Sat Mar 24 14:27:42 CET 2007
First of all, I wish, everything is o.k for everybody :)
I have a question about the g_rdf command. I read the mailing list but I could not find any problem simiIar to mine. I want to calculate the radial distribution function of my system which consists of tripeptide and water molecules. In this respect, I select two groups: the peptide as the first and the water molecules as the second.Then I plotted the given rdf.xvg file, and what I saw was not an expected one. The distribution of particles increased with respect to increasing distance. I could not get the values of g(r ) on the y axis. The distribution did not show the first and the second peaks that correspond to the first and the second hydration shells, respectively.
What is the problem?
Thanks in advance
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