[gmx-users] simulations of crystal cell possible?
mark.abraham at anu.edu.au
Sat Nov 18 10:15:47 CET 2006
> Why would you want periodic velocities? You don't have thos in crystals.
> Anyaw genconf will do it without programming.
Good point - I lost track of the wood looking at the trees. My suggestion
is necessary for doing a true periodic simulation with the same effective
unit cell, but as you observe, that is not what is happening in reality.
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