On Fri, Apr 15, 2016, Hai Nguyen wrote:
> > Mask [:PTR.OP1] represents 0 atoms
>
> my wild guess: there is either there is no atom name OP1 or no residue name
> PTR. may be O1P?
This doesn't have to be a "wild guess": use the "desc" command in tleap
to find out what atoms are in the PTR residue. (It is indeed O1P, O2P, O3P).
....dac
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Received on Fri Apr 15 2016 - 05:00:04 PDT
