I suppose the term "CCL4" is contained somewhere in the files you use (.top or #included .itp). So dont search in the force field folder but in your working directory. If you found the occurence, replace it with CCl4. For further help it would be better to know the exact error message and/or info what you are trying to do. Good luck. Felix
________________________________ Von: [email protected] im Auftrag von ahmet yildirim Gesendet: Di 29.03.2011 15:35 An: [email protected]; Discussion list for GROMACS users Betreff: Re: [gmx-users] Atomtype CCL4 not found Dear Justin, There is "CCl4 12.011 ; carbon in carbontetrachloride (solvent)" in the gromos43a1.ff/atomtypes.atp file. But I still have the error "Atomtype CCL4 not found". 2011/3/29 Justin A. Lemkul <[email protected]> ahmet yildirim wrote: Dear users, Force field: 43a1 water model: spc After this command:grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr I have the following error: Fatal error: Atomtype CCL4 not found What should I do? Use an appropriate atom type. The issue is probably capitalization somewhere, i.e. CCl4 rather than CCL4. See atomtypes.atp. -Justin -- Ahmet YILDIRIM -- ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu <http://vt.edu/> | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Ahmet YILDIRIM
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