AMBER Archive (2009)

Subject: AMBER: questions about equilibram

From: wei zhang (zwei11_at_hotmail.com)
Date: Tue Jan 06 2009 - 05:18:47 CST

Hi:
How are you? I am working on hexane/hexene mixture, and wish to do some MD simulations use Amber 9.
Is anyone done this befor? Is anyone can show me how to construction a box of hexene/hexane mixture.
And is Amber can do a simulation for VLE(vapour liquid equilibram) with ternary systems?
Regards
wei
 
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