[gmx-users] g_dist error
aiswarya pawar
aiswarya.pawar at gmail.com
Mon Sep 12 13:26:21 CEST 2011
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 4:49 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> aiswarya pawar wrote:
>
>> Hi Users,
>>
>> Am using g_dist to find the distance between water and protein. but my
>> output has the values of SOL-water distance.
>>
>> t: 1 136 SOL 2336 OW 0.772373 (nm)
>>
>>
> This is not a water-water distance, it is the output of the -dist option
> telling you that water molecule 136 has its OW atom at 0.7723273 nm from
> whatever your reference group is.
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul
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> ICTAS Doctoral Scholar
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> jalemkul[at]vt.edu | (540) 231-9080
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