Dear Amber users,
I am using xleap5 for various reasons. I have a problem. I have loaded up
two molecules a ligand and enzyme. When I ask for the charge of each these
molecules separetely using the charge command the enzyme is -4.00 and the
ligand is 0.00. However, when I use the check command on these two molecules
combined (combine commmand) it tells me my molecule has a charge of
-3.999600.
Is this a bug?
Thanks
Ben Cossins
Southampton University
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Received on Fri Feb 20 2004 - 11:53:01 PST
