Good morning I was working with x2top version 4.0.7 I put my new atoms in ffoplsaa.n2t file and the program worked without problems I got a reasonable topology of my compound but the program couldn't create a rtp file. Now I have started to work with g_x2top version 4.5.3 and I copied all my new atoms from ffoplsaa.n2t to atomname2type.n2t in /oplsaa.ff directory. When I run g_x2top -f alop.pdb -o alpo.top -ff oplsaa -pbc the program show me the typical error
Can not find forcefield for atom O7 with 0 bonds I don't know what happens because in version 4.07 all work OK but in the new version no, can you help me with this problem? Thanks a lot ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
