[gmx-users] simulation box questions

Rui Qiao ruiqiao at ews.uiuc.edu
Mon Apr 8 20:50:51 CEST 2002


Dear All:
	In my simulation I feel that if I use a simulation box of 
	3.0nm*3.0nm*12.0nm 
	would save a lot of computational time while get most information
I need (the intersting physics happen in z-direction only). But I am kind
of uncertain if I can use such a simulation box in practice because it is
too small in both x and y diraction compared to the z-direction size. 
	Can you tell me whether I can use such a simulation box? I am
using PME to handle the long-range interaction.

	Thanks a lot.

	sincerely,

	Rui

------------------------
Rui Qiao
Research Assistant
Beckman Institute, UIUC




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