Hello, The forcefields for CNT and graphene are identical (for the purpose of this discussion). Two questions:
1. Where did you get the initial graphene structure? 2. Are there any CONECT statements in it? I assume you used Andrea Minoia's guide and the contents of your cnt2_oplsaa.ff directory correspond to what he's got. Alex MC> Hi, MC> i am trying to model a Graphene nano sheet GNS on Gromacs- MC> I follow the advices about the nanotubes presented in the help site. MC> _http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube_ MC> I run this command to greate the topology: MC> _g_x2top -f graphene.gro -o cnt.top -ff cnt2_oplsaa_ MC> I got this error message: MC> GROMACS: gmx x2top, VERSION 5.0.4 MC> Executable: /usr/local/gromacs/bin/gmx MC> Library dir: /usr/local/gromacs/share/gromacs/top MC> Command line: MC> g_x2top -f graphene.gro -o cnt.top -ff cnt2_oplsaa MC> Opening force field file MC> /usr/local/gromacs/share/gromacs/top/cnt2_oplsaa.ff/atomnames2types.n2t MC> Opening force field file MC> /usr/local/gromacs/share/gromacs/top/cnt2_oplsaa.ff/name_topology.n2t MC> There are 12 name to type translations in file cnt2_oplsaa.ff MC> Generating bonds from distances... MC> atom 112 MC> There are 1 different atom types in your sample MC> Generating angles and dihedrals from bonds... MC> segmentazion fault (core dump created) MC> Someone can help me on this? MC> The graphene force field for nanolayer is the same for nanotube? There MC> is something that i have to change? MC> bests MC> -- MC> Marcello Cammarata, Ph.D. MC> 3208790796 -- Best regards, Alex mailto:nedoma...@gmail.com -- 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.
