[gmx-users] Gmx distance

[Justin Lemkul]

On 10/31/18 12:06 PM, rose rahmani wrote:
> Hi,
>
> I want to calculate distances between fixed tube in the middle of the box
> and amino acids(all are same type)around it. But gmx distance gives me the
> relative distance i mean AA can be front or back( can be 0.5 or -0.5 from
> tube) of  tube but still |-0.5|=0.5 nm far from it. How can i have the
> absolute value of distances?
> Would you please help me?

Write a simple post-processing script that multiplies any negative value 
by -1.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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