Dear Gromacs users, I would like to know why the normalized RDF data from g_rdf does not reach 1 for bulk?
As an alternative I tried using the raw data (i.e., by using the 'nonorm' flag) and normalized the values by dividing them by 'rho*volume of bin', which I believe is the standard method for normalization. Still I get the trend obtained from the normalized data, where the end of the RDF curve tapers downward, much below 1. Kindly suggest how I could deal with this issue. Thanks -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
