[gmx-users] g_select

akn akafali84 at hotmail.com
Wed Nov 21 20:54:21 CET 2012

Dear All, 

I'd like to calculate the profile of a physical properties.
I used g_select command as below.
The value of i can be increased by an integer value. For example, the
command in the below
the z axis of the cell is divided the bins by the tickness of 2 nm. However
I'd make the tickness of each bin 0.2 nm.
How can I do that? Please can you answer me?

groups=`grep "^\[" index.ndx | wc -l`
for ((i=120; i<=124; i=i+2)); do

g_select -f traj.xtc -s topol.tpr -n index.ndx -on selectNZ1_$j.ndx -select
'"Hbond" z '$i' to '$(($i+2))'  and name NZ' ;



View this message in context: http://gromacs.5086.n6.nabble.com/g-select-tp5003175.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list