[gmx-users] Gmx mindist

[Justin Lemkul]

On 12/30/18 6:58 PM, rose rahmani wrote:
> Also i have used this command
>
> G_mindist -f md2.gro -s -n -or (select Pr-H and tube)
>
> Dies it calculate minimum distabce of non-hydrogen atom of each residue
> with tube closest atom or COM of nanotube?

g_mindist reports the minimum distance between any pairs of atoms in the 
two selections. It does not consider COM.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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