VMD-L Mailing List

From: Gurunath Katagi (gurunath.katagi_at_gmail.com)
Date: Thu Apr 11 2013 - 01:53:45 CDT

Dear all,
I have a protein in a solvent box (60x60x60 A) from a MD trajectory. Now I
want to put this molecule into a grid and slice into a cube of 5A each
and calculate the atoms in each of the 5A grid.

My molecule is centerd at the origin(0,0,0)
and minmax are the follwing: {-30.006000518798828 -32.87799835205078
-34.95100021362305} {30.01300048828125 32.79600143432617 35.04499816894531}

i have tried the atom selections like ( x > -30.0 and x < -25 and ( y >
-30.0 and y < -25) and (z > -30 and z < -25)
this is giving me a 5 A(appx) cube.. similarly i want to extract the atoms
from the other box by traversing the entire box.

Can any please let me know how do i go about it ..?

Thank you
Gurunath