[gmx-users] Diferent Pressure Solvent

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Wed May 28 18:20:34 CEST 2014

I have this idea to try to "emulate" a chemical gradient,

this is because i would like to see the diffusion of a molecule that it is
caged in the SWCNT, an see if i can reproduce "a chemical gradient" in
order to see a diffusion
of the molecule,

This idea is to try to model a chemical gradient confined in a SWCNT in
order to get the diffusion of the molecule in an ion channel,

I think the best way to do this maybe is to create a system, and be
carefull this the position of ions

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