[gmx-users] g_dist output error

aiswarya pawar aiswarya.pawar at gmail.com
Mon Sep 12 13:20:41 CEST 2011

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.
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