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
