Hi Michelle, You should only change the moleculetype definition. Delete the pairs/bonds/angles/dihedrals sections there, so you're only left with the atom listing and the position restraints.
Cheers, Tsjerk On Jan 2, 2015 9:32 PM, "Aranha, Michelle" <mara...@vols.utk.edu> wrote: > Hi, > > > I wanted to create a topology file without the bonds, angles and dihedrals > for a CNT fixed in space using position restraints. I use the g_x2top > program for building the topology. My understanding was that if I comment > out the #include ffbonded.itp in the forcefield.itp file. I should have a > topology file without bonds, angles and dihedrals. However, the topology > file I get has all bonds, angles and dihedrals. I also tried deleting the > ffbonded.itp file from the directory but got the same result. I am not sure > how the program works. I understand that I can edit out the bonds, angles > and dihedrals lines in topology file, but I would just like to know how > does the program generate the topology file even when I don't specify the > bonded parameters. > > > > Best regards, > > Michelle > > -- > 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.