[gmx-users] query for energy minimization in solvent

[Anushree Tripathi]

Yes I m using 4.0.7 version.so for that how could I change the name
accordingly.

On Sat, Nov 5, 2011 at 1:37 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Anushree Tripathi wrote:
>
>> when i run the given command i.e,
>>
>> grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr
>> It is showing fatal error:No such molecule type NA.
>> How could I troubleshoot this problem?
>>
>>
> Ion naming is listed in ions.itp - the "NA" name works for all force
> fields in the Gromacs 4.5.x series.  Older versions had force
> field-specific naming so you will have to change the name accordingly if
> you're using one of these versions.
>
> -Justin
>
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> ==============================**==========
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> Justin A. Lemkul
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