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AMBER Archive (2009)Subject: [AMBER] RESP charges for Fe in heme
From: Carina Backtorp (cbacktorp_at_ICIQ.ES)
Dear AMBER users,
I am trying to get RESP charges for heme. However, when I use
"For atom [3]: Fe1, the best APS is not zero, bonds involved by this
Then I get the RESP charges for all the other atoms in the molecule,
Can anyone please help me out, as to what I need to do to get the RESP
regards,
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