[gmx-users] simulate Gas Phase system

Nuno Azoia nazoia at det.uminho.pt
Fri Jul 4 11:33:28 CEST 2008


Chih-Ying Lin wrote:
> Hi
> to simulate the gas phase system, before running MD on the gas phase system
>
> I have to use the "editconf" command.
> But, I DO NOT  use "genbox" command.
>
>   
I'm new to Gromacs, but I think that if you do that you will running 
simulation in vacuo. Maybe it a good approximation to gas phase, but if 
your box is empty it will be a vacuo simulation.
> Right??
>
> thanks
> Lin
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-- 

Nuno Gonçalo Azoia Lopes

Laboratório de Investigação em Acabamento
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