Colvar distance xy to restrain ions

From: Azadeh Alavizargar (
Date: Thu Jan 12 2017 - 02:42:25 CST

Hello everyone

I have a protein-membrane system with lots of ions. I want to prevent the
ions to enter a hypothetical cylinder aligned with the pore of the protein
using the upperBoundary of the distance xy of the colvar module. Do I have
to have a colvar for each ion or there is a way to do it for all the ions
with a single colvar?
If not, what is the best way to do it?

Thank you very much for your help.

Kind regards,

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:01 CST