Hello 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 way? Thanks in advance. Dr. George Patargias Postdoctoral Researcher Biomedical Research Foundation Academy of Athens 4, Soranou Ephessiou 115 27 Athens Greece Office: +302106597568 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
