[gmx-users] (no subject)

[Mark Abraham]

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, 
unfortunately.

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.

Mark