[gmx-users] Diferent Pressure Solvent

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Wed May 28 01:12:22 CEST 2014

Hi Dear Gromacs Users

I was wondering if i want to simulate a SWCNT with water inside, it
possible , to run an MD with the inside water with a diffent pressure (2
Bar) , and the outside water and CNT a 1 bar?,
It is ok to use an index file, and use different pressure values with the
barostat i think this cant be done,
How could i done this?

Thank you in advance for your help

Andrés Ortega

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