Dear Users, As mentioned in the manual, *nrexcl = 3* means "*excluding non-bonded interactions between atoms that are no further than 3 bonds away*". This means, as I understand, 1-4 interactions are also excluded.
However, after simulation when "gmx energy" is used, it gives output for 1-4 interactions. How is this possible? Any help/suggestion is appreciated. Thanks & regards, *Saumyak Mukherjee* Senior Research Fellow, Prof. Biman Bagchi's Lab, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore - 560012, Karnataka, India. -- 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.
