[gmx-users] g_velacc

[Nilesh Dhumal]

Hello,

I am calculating the velocity autocorrelation function for my
system. I have to calculate the g_velacc for 5 different groups within
system. I have  made the index file.

I have also written .sh script

 g_velacc -f 6.trr -s 6.tpr -n glu-emi-dmp-128-no.ndx -nonormalize -o
h20-vac.xvg
24
 g_velacc -f 6.trr -s 6.tpr -n glu-emi-dmp-128-no.ndx -nonormalize -o
h21-vac.xvg
25
 g_velacc -f 6.trr -s 6.tpr -n glu-emi-dmp-128-no.ndx -nonormalize -o
h24-vac.xvg
26

How can I select the group. In the above script  24, 25, 26 are the group
numbers in index file.



I am using Gromacs 4.0.7 version.


Thanks

Nilesh







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