On Fri, Dec 27, 2013, Himanshu Joshi wrote:
>
> I am trying to get a new topology of DNA in xLeap.
> But xLeap is adding and removing some atoms to residues
> treating them as terminal residues. Is there a way to prevent
> xLeap doing this automated manipulating ?
It's hard to be helpful with such a vague description. You don't say what you
did, or what the problem was.
The way LEaP handles terminal residues is determined by the "addPdbResMap"
section of your leaprc file. So you could make a copy of that file, edit
(or remove) the addPdbResMap section, and use your new file as input to
LEaP.
But generally, the behavior in the default files is what you want. So be
careful with modifications.
...dac
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Received on Fri Dec 27 2013 - 06:30:04 PST
