How to choose the box and cap size

From: sxzheng <>
Date: Thu 31 Oct 2002 14:42:27 +0800

Dear all,
 I find there is some different size used in FEP calculation,such as 10 or 12 A of the boxsize and 20 or 25A of the cap size.I want to use solvatecap the complex and the solvatebox the ligand to calculate the dG,then what is the size I should choose in the calculations.
Thank you
Received on Wed Oct 30 2002 - 22:42:27 PST
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