[gmx-users] simulation box

noob noob eyemnoob2008 at hotmail.com
Tue Mar 3 18:23:26 CET 2009

Dear all,

 I am new about MD simulation and I have some questions about the box size.

had performed 1 simulation previously ( box size of 5 nm x 5 nm x 5 nm
) but now I change to a bigger molecules and increase the number of
molecules. So,the new system cannot fix into the previous box.
Therefore, I tried to Increase my box to a bigger one ( 20 nm x 20 nm x
20 nm) which can fix the system nicely. 

So, is it compulsory to use certain box size in our system? or we just use
any box size which our molecules can fix into it, then perform MD?

Sorry for the "stupid" questions.

thanks for the comments.

Alvin Chan.
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