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 [email protected].
