[AMBER] Defining the box dimensions while making the top and crd files

From: Iqbal, Muhammad Sajid <iqbal.uleth.ca>
Date: Wed, 24 Jun 2015 18:02:03 -0600

Hi Amber folks,

Usually the box is defined using the combined vector values. How I can use
the minimum and maximum coordinates to define the box? i have the
coordinates as follows,

maximum = {150.0 150.2343 150.22}
minimum={-150.6945 -150.0 -150.34442}
combined= {300.6945 300.2343 300.56442}


mypdb = loadpdb mypdb.pdb
set mypdb box {-150.6945 -150.0 -150.34442} {150.0 150.2343 150.22}

thank you
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Received on Wed Jun 24 2015 - 17:30:02 PDT
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