On Thu, Nov 10, 2016 at 6:08 PM, Aseel Bala <balaahme.msu.edu> wrote:
> Hi everyone,
> I am trying to select all molecules within 3 angstroms of a given set of
> atoms using a mask.
>
> I have tried the following two syntax options:
> qmmask='[(:226-240 <:3.0)]'
> or
> qmmask='[:226-240 <:3.0]'
>
> But for both I get the following error:
>
>
> Error in group input::atommask.f::tokenize
> illegal symbol in maskstr:[
>
>
Like the error said here: "illegal symbol in maskstr:["
Try to remove "[" and "]"
Hai
> Does anyone see what I am doing wrong? Any help would be greatly
> appreciated.
> Thanks,
> --
>
> Aseel Bala Ahmed
> PhD Candidate, Chemical Engineering
> Michigan State University
>
>
>
>
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Received on Thu Nov 10 2016 - 15:30:03 PST
