[gmx-users] g_dist output error

[aiswarya pawar]

hi Justin,

As far i referred the OW,HW1 etc are water atoms so how can it be distance
between the SOL protein atoms, instead it is SOL water atoms.

Thanks

On Mon, Sep 12, 2011 at 4:53 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> aiswarya pawar wrote:
>
>> Hi gromacs Users,
>>
>> Am using g_dist to find the distance between water and protein. for that i
>> made a index file such as-
>>
>> a CA(protein atoms)
>>
>> a OW(water atoms)
>>
>> i then run this cmd- g_dist -f md.xtc -s md.tpr -n index.ndx -e 500 -dist
>> 0.35
>>
>>
>> instead of getting the result for protein-SOL distance . my output shows
>> SOL-OW distance as seen below-
>>
>> t: 1  136 SOL 2336 OW  0.772373 (nm)
>>  can anyone tell me whats wrong with this.
>>
>
> Please see my previous message.  This is not a "SOL-water" distance.
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul
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