Do you mean i should change the order of #include thing in file.top or something involving pope.itp? I try to change order of #include thing, there is the same error. Do i need to define something like "proper dihedral types" in pope.itp & popg.itp?
Thanks Jit On Fri, Feb 12, 2010 at 8:24 AM, Mark Abraham <mark.abra...@anu.edu.au> wrote: > On 12/02/10 12:16, chiloo777 777 wrote: >> >> 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 > > If there's no default proper dihedral types defined, then you've #included > things in a wrong order. > > Mark > >> >> ------------------------------------------------------- >> 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) >> >> > -- > gmx-users mailing list gmx-us...@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 > -- 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
