Hi sh-karbalaee, Do you have some .itp files you include? Can you track 'HO' in there?
If all else fails, write out the full (preprocessed) topology file, using the option -pp of grompp and search there (although I'd still bet it's in one of the .itp files). Cheers, Tsjerk On Wed, Aug 27, 2008 at 8:27 AM, shahrbanoo karbalaee <[EMAIL PROTECTED]> wrote: > Dear justin > I cannot find my error.I make mix solvent tfe and spc ( was > minimized)and solvate on a peptide.I use ffg53a5 .I take this error > .I saw in line 61 in top file but there is not Ho in top file and > rtp file ffg53a5. what do i de?please help me. > > Back Off! I just backed up mdout.mdp to ./#mdout.mdp.6# > checking input for internal consistency... > calling /lib/cpp... > processing topology... > Generated 165 of the 1596 non-bonded parameter combinations > Cleaning up temporary file gromppIpCYKg > > ------------------------------------------------------- > Program grompp, VERSION 3.3.2 > Source code file: toputil.c, line: 61 > > Fatal error: > Atomtype 'HO' not found! > > > > best regards > -- > sh-karbalaee > _______________________________________________ > gmx-users mailing list [email protected] > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
