In reply to Mark's comment, it used to be that one could specify separate LJ 1-4 interactions as he suggests, but there is no route to do this for Coulmb 1-4 scaling. Perhaps that haas changed in more recent versions of gromacs. If not, you might consider a variant of the approach that we used ages ago for combining lipid and protein force fields (Berger and OPLS) that have different scaling rules: http://pomes.biochemistry.utoronto.ca/files/lipidCombinationRules.pdf
________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Qinghua Liao <scorpio.l...@gmail.com> Sent: 02 May 2017 18:00:54 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] mixed 1-4 scaling factor Hello, I want to simulate a system using Amber and Glycam force fields together with gromacs, I am wondering whether a scheme of mixed 1-4 scaling factors is available with Gromacs. I searched the mailing list, and I found this post which no one responded: https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2014-June/090120.html And I also found this post, but it is not very clear. https://www.mail-archive.com/gromacs.org_gmx-users@maillist.sys.kth.se/msg03639.html Could someone give me some tips on the problem? Thanks very much! All the best, Qinghua -- 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. -- 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.
