On Tue, Mar 29, 2016, Weinzierl, Robert O J wrote:
> I have tried using the following mask in my cpptraj script:
>
> distance :60 [.CB] :92 [.CZ] out result.agr
use this: distance :60.CB :92.CZ out result.agr
Amber masks don't contain spaces or "[" and "]" characters.
...dac
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Received on Tue Mar 29 2016 - 04:30:04 PDT
