Dear Javier, The way GROMOS force fields are parameterized allows building blocks to be linked together and still provide a good model. You can find parameters for glucose in the force field (in the aminoacids.rtp file) and from there on, you only need to find adequate parameters for the N-acetyl group. You can try using the ATB web server but keep in mind to also validate the parameters that are generated in that case. For CHARMM, you can try using the glycan reader & modeler tool in the CHARMM-GUI web server, which should also provide adequate parameters.
With kind regards, ______________________________ Kenneth Goossens, PhD student Laboratory of Medicinal Chemistry (Building A - Room 2.13) University of Antwerp - Campus Drie Eiken Universiteitsplein 1 B-2610 Wilrijk Belgium ________________________________ Van: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> namens Javier Luque Di Salvo <jluquedisa...@gmail.com> Verzonden: maandag 6 april 2020 14:14 Aan: gromacs.org_gmx-users@maillist.sys.kth.se <gromacs.org_gmx-users@maillist.sys.kth.se> Onderwerp: [gmx-users] NAG N-Acetylglucosamine force field parameters Dear Gromacs users, Do you know where can I search for force field parameters of N-Acetylglucosamine (NAG)? I'm interested in AMBER, CHARMM and GROMOS force fields, my Gromacs version is 2018.3 Thanks in advance, Javier -- ________________________________________ *Javier Luque Di Salvo* Dipartamento di Ingegneria Chimica Universitá Degli Studi di Palerm*o* -- 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.
