[gmx-users] writing script to analyze gmx data

[Jian Zou]

Thank you very much, Zhiguo Liu, Xavier, David,

All of your methods work fine with me.

g_dist -f md.trr -s b4md.tpr -n index.ndx -o dist.xvg << EOF
2
5
EOF

g_dist -f traj.xtc -in index.ndx -o blbbal.xvg < toto
--start of toto--
2
5
--end of toto--

echo 2 5 | g_dist -f md.trr -s b4md.tpr -n index.ndx -o dist.xvg


Regards,

Jian Zou