Dear all, I face some problem during run grompp (see below), the command is "grompp -f em.mdp -c ../2add_lipw/b4ion.gro -p ../topol.top -o b4ion.tpr"
-Before this process, i've changed the ffG53a6nb.itp & ff53Ga6bon.itp according to the tutorial (http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html) my topology, you can see the attached files. Thanks in advance Jit -------------------------------------------------------------------------------------------- Ignoring obsolete mdp entry 'cpp' Back Off! I just backed up mdout.mdp to ./#mdout.mdp.6# checking input for internal consistency... processing topology... Opening library file /usr/local/gromacs/share/top/ff_dum.itp Generated 825 of the 2346 non-bonded parameter combinations ERROR 1 [file /home/jit/Lipid_Bilayers/pope.itp, line 234]: No default Proper Dih. types ------------------------------------------------------- Program grompp, VERSION 4.0.7 Source code file: toppush.c, line: 947 Fatal error: Atomtype HO not found ------------------------------------------------------- "There's Nothing We Can't Fix, 'coz We Can Do It in the Mix" (Indeep) -- Other mails: chil...@hotmail.com chilo...@yahoo.com lch...@kku.ac.th -- 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/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/mailing_lists/users.php
