[gmx-users] question

[Justin Lemkul]

On 2/3/14, 12:52 PM, tarak karmakar wrote:
>   Hi,
>
> "want to run grompp command but give afatall error:not found NH3L atomtype"
>
> It is giving a clear message about the atom type present in you lipid
> coordinates.
> Please check the atom types present with the force field and accordingly
> change that in your initial coordinate file.

Atom types are not relevant to the coordinate file.  The problem lies completely 
within the construction of the force field.

-Justin

> Similar problems have been discussed several times in the mailing list.
>
> Tarak
>
> On Mon, Feb 3, 2014 at 11:00 PM, nafas <mjm136525 at yahoo.com> wrote:
>
>> Hi
>> I am tring with mixture pope/popg for simulatie membrane bacteria that i
>> use of gromos53a6 force field.
>> what force field should i use?charmm force field?
>>
>> in program  have been used pope.itp ,popg.itp, .....files .
>> I want to run grompp command but give afatall error:not found NH3L
>> atomtype.
>> grompp -f minim.mdp -c ......gro -p ....top -o em.tpr
>>
>> I dont know what is problem?
>> May you guide me?
>> thanks
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================