AMBER Archive (2008)

Subject: AMBER: Question on Urea box

From: Antonios Samiotakis (
Date: Tue Oct 07 2008 - 14:31:44 CDT


I am trying to duplicate the 8M Urea box, to reduce the urea concentration and I have the following
problem in the calculation. The 8M urea box has 330 urea molecules and 1464 water molecules.
The box size is 46.23 x 43.05 x 49.13 A^3.
Which volume is used to calculate the 8M concentration, beceause when I use the box size volume, the result I get is
around 5.6M...

Am I using the wrong volume?

Thank you very much...

 Antonios Samiotakis
Department of Physics
University of Houston
4800 Calhoun Rd
SR1 Rm 629G, Houston
TX, 77204
Tel: 713-743-3725

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