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
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