[gmx-users] (no subject)

Mark Abraham Mark.Abraham at anu.edu.au
Fri May 8 12:03:52 CEST 2009

Antonia V. wrote:
> Hi,
> I just put one box on top of the other in order to make my new system.
> I use no constraints for the system, and I can't figure out the problem. 
> It seems that the water molecules of the new system are getting crazy...

Unfortunately, "on top" is also not a helpful description. Superimposing 
the boxes would probably lead to a garbage result. Placing two different 
boxes alongside each other to form a larger box should probably be 
reasonable if the force field can deal with the interfaces that are created.


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