[gmx-users] RDF of water
gpat at bioacademy.gr
Wed Jul 31 16:49:26 CEST 2013
I am trying to calculate the RDF of water with water for a 10 ns MD of
pure SPC water simulation (3x3x3 nm box). I run g_rdf with the default
-rdf option (atom).
The problem is that the integration of the RDF curve up to the first
minimum yields a zero value which is obviously not right
Do you have any suggestions about this? Should I run g_rdf in a different
Thanks in advance.
Dr. George Patargias
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou
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