[AMBER] Truncated octahedron

From: Arjun Sharma <arjunsharma83.gmail.com>
Date: Wed, 11 Mar 2015 10:24:31 -0500

Dear Amber users,

How to calculate the distance between the nearest atoms in periodic boundary conditions for polymer structure in truncated octahedron solvent box. Here is the fortran code I used for polymer in rectilinear solvent box, how do I modify it for truncated octahedron.

xc = x(center of polymer)
yc = y(center of polymer)
zc = z(center of polymer)
 do i=1,natm
Any help is greatly appreciated.

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Received on Wed Mar 11 2015 - 08:30:03 PDT
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