Thanks Justin. Problem is solved.
.itp file:
[ moleculetype ]
; Name nrexcl
TRS 3
[ atoms ]
; nr type resnr resid atom cgnr charge mass
1 OA 1 TRS O1 1 -0.119 15.9994
2 H 1 TRS H13 1 0.032 1.0080
3 CH2 1 TRS C1 1 0.087 14.0270
4 *CCL4 * 1 TRS C 2 0.055 12.0110
5 CH2 1 TRS C3 2 0.049 14.0270
..
.newitp
[ moleculetype ]
; Name nrexcl
TRS 3
[ atoms ]
; nr type resnr resid atom cgnr charge mass
1 OA 1 TRS O1 1 -0.119 15.9994
2 H 1 TRS H13 1 0.032 1.0080
3 CH2 1 TRS C1 1 0.087 14.0270
4 *CCl4 * 1 TRS C 2 0.055 12.0110
5 CH2 1 TRS C3 2 0.049 14.0270
...
29 Mart 2011 16:41 tarihinde Justin A. Lemkul <jalem...@vt.edu> yazdı:
>
>
> ahmet yıldırım wrote:
>
>> Then, what should I do?
>>
>>
> You've somehow created a topology that does not conform to the requirements
> of the force field. Fix it so that it does.
>
> -Justin
>
> 29 Mart 2011 16:36 tarihinde Justin A. Lemkul <jalem...@vt.edu <mailto:
>> 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> <mailto: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> <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>
>> <mailto:gmx-users@gromacs.org <mailto:gmx-users@gromacs.org>>
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>>
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>> <mailto:gmx-users-requ...@gromacs.org>>.
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>>
>>
>>
>>
>> -- 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
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>> 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
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>
--
Ahmet YILDIRIM
--
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