[gmx-users] potential energy value

[Mark Abraham]

On 18/01/2011 8:06 PM, ahmet yıldırım wrote:
> Dear users,
>
> I tried the emol values the following:
>
> As emol=2000, Potential energy=-4.7x10^5
> As emol=1000, Potential energy=-4.9x10^5
> As emol=100, Potential energy=-5.2x10^5
>
> Generally, when we did the energy minimization:
>
> how much potential energy value=? we can say that the energy 
> minimization is good.

I've already posted on this topic twice in the last 12 hours. :-) It's 
good enough when it's negative, has large magnitude, and the next thing 
you do with the minimized system works!

Mark