[gmx-users] g_dist error
Justin A. Lemkul
jalemkul at vt.edu
Mon Sep 12 13:19:56 CEST 2011
aiswarya pawar wrote:
> Hi Users,
>
> Am using g_dist to find the distance between water and protein. but my
> output has the values of SOL-water distance.
>
> t: 1 136 SOL 2336 OW 0.772373 (nm)
>
This is not a water-water distance, it is the output of the -dist option telling
you that water molecule 136 has its OW atom at 0.7723273 nm from whatever your
reference group is.
-Justin
--
========================================
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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