[gmx-users] no output in g_dist

aiswarya pawar aiswarya.pawar at gmail.com
Thu Sep 8 14:25:46 CEST 2011


Hi users,

To get the distance between water and protein i did -

 g_dist -f md.xtc -s md.tpr -o distance.xvg -dist 1 -b 1 -e 11

from this i should obtain an output file as distance.xvg which i dont get.

and my output is printed on the terminal as-

t: 1  136 SOL 2336 OW  0.772373 (nm)
t: 1  136 SOL 2337 HW1  0.706358 (nm)
t: 1  136 SOL 2338 HW2  0.807787 (nm)
t: 1  139 SOL 2345 OW  0.821094 (nm)
t: 1  139 SOL 2346 HW1  0.810919 (nm)
t: 1  139 SOL 2347 HW2  0.771526 (nm)
t: 1  7237 SOL 23640 HW1  0.997056 (nm)
t: 1  11793 SOL 37307 OW  0.868929 (nm)
t: 1  11793 SOL 37308 HW1  0.927205 (nm)
t: 1  11793 SOL 37309 HW2  0.776699 (nm)
t: 2  125 SOL 2303 OW  0.940527 (nm)

In this

t: 1  136 SOL 2336 OW  0.772373 (nm)

does the 't' states the time frame, 136 SOL states the SOL molecule number
and 2336 OW the residue contact from protein and the 0.772373 nm the
distance between them.

Thanks
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