[AMBER] replace unit in leap

From: <tsurma.umich.edu>
Date: Sun, 04 Sep 2011 12:59:45 -0400

Hi,

In leap, I have a system of 290 TP4 water molecules. Now, how do I replace
one H2O molecule (unit) by one CYN unit (for which I have loaded prepc and
frcmod file). Or, two TP4 molecules by two CYN units?

I looked up in Ambertools manual but couldn't get the add command to work,
I am doing some basic mistake!!

Thanks for the help!

~Surma Talapatra
Geva Group
University of Michigan



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Received on Mon Sep 05 2011 - 14:00:10 PDT
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