> I want to use pucker in ptraj to analyze the nucleic acid puckers,
> the script is as follows, but when I run ptraj, WARNING in ptraj(),
> pucker: Error in specification of the first mask, nothing is output, I
> don't know why, can anyong help me? Thank you for your kind help!
>
> trajin nptrna491.dcd 1 800 50
> pucker ":12.C1',C2',C3',C4',O4'" out test time 50
You need to have a separate mask for each atom specification
pucker p1 :12.C1' :12.C2' :12.C3' :12.C4' :12.O4' \
time 50 out test
--tec3
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Received on Tue Jan 12 2010 - 10:30:06 PST
