AMBER Archive (2007)

Subject: AMBER: Solvate box

From: Sophie Barbe (sbarbe_at_insa-toulouse.fr)
Date: Tue Feb 13 2007 - 07:21:28 CST


Dear amber users,

I want to simulate a molecular dynamic simulation of a protein into Water/Octan
interface (explicit solvent). Therefore, I want to use two boxes : a cubic
water box and a octane box. The major part of the protein must be in the water
box. One part of the protein must be in the octan box. So, I have to put the
octane box on the water box.
I don't know how I can use two boxes and put one box on the other box.

Thank you for your help

Sophie

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