[gmx-users] g_dist output error

Justin A. Lemkul jalemkul at vt.edu
Mon Sep 12 13:23:11 CEST 2011

aiswarya pawar wrote:
> Hi gromacs Users,
> Am using g_dist to find the distance between water and protein. for that i made a index file such as-
> a CA(protein atoms)
> a OW(water atoms)
> i then run this cmd- g_dist -f md.xtc -s md.tpr -n index.ndx -e 500 -dist 0.35
> instead of getting the result for protein-SOL distance . my output shows SOL-OW distance as seen below-
> t: 1  136 SOL 2336 OW  0.772373 (nm)
>  can anyone tell me whats wrong with this.

Please see my previous message.  This is not a "SOL-water" distance.



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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