Then, what should I do? 29 Mart 2011 16:36 tarihinde Justin A. Lemkul <jalem...@vt.edu> yazdı:
> > > ahmet yıldırım wrote: > >> 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". >> >> > Exactly as I said, capitalization is your issue. CCl4 and CCL4 are not the > same. > > -Justin > > 2011/3/29 Justin A. Lemkul <jalem...@vt.edu <mailto:jalem...@vt.edu>> >> >> >> >> >> ahmet yıldırım 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 gmx-users@gromacs.org >> <mailto: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 >> <mailto:gmx-users-requ...@gromacs.org>. >> >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> >> >> >> -- >> 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 | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 > -- Ahmet YILDIRIM
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