[AMBER] Setting up a Periodic Box Size

From: Jonathan Saboury <jsabou1.gmail.com>
Date: Sat, 2 Feb 2013 11:36:15 -0800

Hello AMBER users,

I am having problems setting up a period box around my compound of
interest. I am using the command "setBox HEX centers" (where HEX =
hexane.mol2) but the box is way too small (less than the size of a hydrogen
atom).

My problem and my pathway to it is greatly detailed in "
https://simtk.org/forums/viewtopic.php?f=161&t=3901&start=10#p8809".

Thanks!
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Received on Sat Feb 02 2013 - 12:00:04 PST