[gmx-users] (no subject)

Mark Abraham Mark.Abraham at anu.edu.au
Tue Apr 20 09:37:19 CEST 2010

On 20/04/2010 4:39 PM, shahid nayeem wrote:
> Dear All
> I am learning molecular simulation using Gromacs. when I complete my
> simulation, How can I check that my simulation run was o.k. and the
> output so obtained can be trusted. Is there any easy calculation, which
> could be performed.

No. These tend to be "how long should a piece of string be?" questions, 

The best thing to do is to have the simulation objective in mind before 
you touch a computer. Now you can hopefully make decisions for the right 
reasons, and can grapple sensibly with assessing whether you've achieved 
that objective.


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