> Is there a way to prevent tleap from adding these OXT atoms to the
> topology file?
There's a cmd called something like loadPdbUsingResMap in which you
specify what residues are there and it doesn't default to terminal
types. However as mentioned, you may want to not have dangling
bonds, as it were.
Bill
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Received on Wed Nov 02 2011 - 18:00:03 PDT
