[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

========================================



More information about the gromacs.org_gmx-users mailing list