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.
-Justin
Yours sincerely,
Rama
--
========================================
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
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