[AMBER] ambmask issue

From: Aseel Bala <balaahme.msu.edu>
Date: Thu, 10 Nov 2016 18:08:01 -0500

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)]'
        qmmask='[:226-240 <:3.0]'

But for both I get the following error:

        Error in group input::atommask.f::tokenize
        illegal symbol in maskstr:[

Does anyone see what I am doing wrong? Any help would be greatly appreciated.
Aseel Bala Ahmed
PhD Candidate, Chemical Engineering
Michigan State University
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Received on Thu Nov 10 2016 - 15:30:02 PST
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