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` j=0; for ((i=120; i<=124; i=i+2)); do j=$(($j+1)); 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' ; done thanks, Akn. -- 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. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
