[gmx-users] g_hbond existence matrix

Kavyashree M hmkvsri at gmail.com
Fri Jan 25 05:11:21 CET 2013


Thank you for the clarification.

On Fri, Jan 25, 2013 at 12:40 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/24/13 11:03 AM, Kavyashree M wrote:
>
>> Dear users,
>>
>> I have a little confusion -
>> The hbmap.xpm file gives the existence of each hydrogen bond.
>> The file mentions -
>> "   c #FFFFFF " /* "None" */,
>> "o  c #FF0000 " /* "Present" */,
>> Meaning -
>> character "<space>" in white colour means Hbond not present
>> character "o" in red colour means Hbond is present.
>>
>> In addition, the file also contains white coloured "o" what is
>> this?
>>
>>
> There are only two characters in the .xpm file, a space and an 'o' as you
> noted above.  The font color that appears in your terminal is whatever you
> have set it to be; there is no significance of different colored letters in
> the .xpm file. There either is a hydrogen bond in a frame (in which case
> you see 'o') or there is not (and thus a blank space).
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> 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>
>
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