AMBER Archive (2006)

Subject: AMBER: simulate a self-assemble process in vacuum

From: Eric Hu (list.eric_at_gmail.com)
Date: Wed Jul 12 2006 - 18:22:58 CDT

Hi, I am trying to simulate a self-assemble process of an organic
molecule. My logic is to prepare a series of molecules that have
random orientations in high concentration in a limited space. I wonder
if AMBER can help achieve this goal. The reason I ask is that in my
mind this is a very similar way as creating periodic boundary
conditions for your own solvent which some people might already
encounter. Thanks!

Eric
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