[gmx-users] question

tarak karmakar tarak20489 at gmail.com
Mon Feb 3 18:52:50 CET 2014


"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
Please check the atom types present with the force field and accordingly
change that in your initial coordinate file.
Similar problems have been discussed several times in the mailing list.


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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