[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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