[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Fri May 8 12:03:52 CEST 2009
Antonia V. wrote:
> 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.
More information about the gromacs.org_gmx-users