Simulation with non-periodic boundary condition

From: S.K. Ghosh (
Date: Thu Jun 19 2008 - 13:36:50 CDT

Dear users,

I am stuck over a basic consideration. I am doing a simulation of
streptavidin-biotin complex in an ionized water sphere covering the complex
and also padding it on all sides. But I am using non-periodic boundary
conditons, since I could not figure out how to use periodic boundary
conditions with water sphere. Is non-periodic boundary condition a
reasonable approach for a realistic simulation of biological systems?

Your inputs will be very helpful and appreciated.


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