[gmx-users] g_mindist

Justin A. Lemkul jalemkul at vt.edu
Tue Jan 4 02:29:02 CET 2011

Ramachandran G wrote:
> Hi Gromacs users,
>     I used g_mindist to calculate the minimum distance between a residue 
> and a group of water molecules.
> Since distance is a length between two points in space, for the program 
> considers the bunch of water molecules(15 number)
> what specific point does the group consider ? Thank you.

The distance measured is that between the two closest atoms, whichever those may 
be.  Read the first few sentences of g_mindist -h.


> Yours sincerely,
> Rama


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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