Erik Marklund wrote > > 2 sep 2012 kl. 20.47 skrev Smitty: > > Why would you have 1-4 interactions for monoatomic species? Or between > different molecules for that matter? > ----------------------------------------------- > Erik Marklund, PhD > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: +46 18 471 6688 fax: +46 18 511 755 > erikm@.uu > http://www2.icm.uu.se/molbio/elflab/index.html >
Thanks Erik, I don't know what I was thinking. However, when I was checking for consistency between K+K+ dynamics for the table-based run and my standard run, I find that my radial distribution functions are significantly different? Attached are two examples (.xvg) http://gromacs.5086.n6.nabble.com/file/n5000778/rdf_K%2BK%2B_fromtablerun.xvg rdf_K+K+_fromtablerun.xvg http://gromacs.5086.n6.nabble.com/file/n5000778/rdf_K%2BK%2B_fromstdrun.xvg rdf_K+K+_fromstdrun.xvg . So it seems I am still have some problems. Thanks to both you and mark for all of the help. -Smitty -- View this message in context: http://gromacs.5086.n6.nabble.com/Turning-off-electrostatics-between-groups-using-custom-tables-tp5000723p5000778.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
