[gmx-users] g_select, only 'one' water within z>=10 and z<=10.1

Faezeh Pousaneh fpoosaneh at gmail.com
Fri Jul 15 15:28:40 CEST 2016


Hi,

I want to select only a 'single' water molecule at specific part of my
simulation box.
So I try:

g_select    -selrpos whole_mol_com

and select

resname SOL and z >= 10 and z <= 10.1

But depending on time frame I get more than one molecules or sometimes no
molecules. How can I fix it?

Thank you!
Best regards


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