[gmx-users] Sorry

Mark Abraham Mark.Abraham at anu.edu.au
Fri Oct 31 22:38:14 CET 2008

Mark Abraham wrote:

> I'd strongly suggest you experiment first with a micelle aggregation 
> system for which you can use someone else's trustworthy topology (maybe 
> from some tutorial?). That way you can learn how to operate the 
> simulation without being distracted by whether (or when!) things are 
> breaking in your topology.

Oh, and do be aware that in many tutorials, they strip down the physics 
to make it run fast enough for the user not to have to sit around much 
waiting for the run. Such exercises are good for learning the user 
mechanics, but many newbies will transfer those physics to their own 
simulations, even if you tell them what's bad about the physics.


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