[gmx-users] equilibrium for box of simulation

Mark Abraham Mark.Abraham at anu.edu.au
Fri Oct 5 08:04:55 CEST 2012

On 5/10/2012 3:55 PM, mohammad agha wrote:
> Dear Justin,
> Thank you very much.
> So, decreasing of box dimensions is not bad, if all thing process natural, yes?
> The cause of my doubt was because of in the most of articles was said for example " we select box with dimensions 10nm that after equilibrium was converted to 11nm" and I didn't see the report of decreasing of box dimensions! May I know your idea about it, Please?

Following a published method closely and observing an opposite result is 
a cause for concern. You have to judge "closely," however. You should 
have said earlier this was one of your reasons for doubt, rather than 
leave us to guess. The quality of the help you might receive is often in 
direct proportion to the quantity of relevant information you give in 
asking for it.


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