[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
>
> --
> ==============================**==========
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users>
> Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110912/3433b1b6/attachment.html>


More information about the gromacs.org_gmx-users mailing list