On Fri, Oct 9, 2015 at 8:57 AM, Sidhu, Khushwant (Dr.)
<k.sidhu.leicester.ac.uk> wrote:
>
>> hbond donormask :97 acceptormask:131 out Nhb.dat avgout avdhb.dat
> Error: Tokenize: Wrong syntax [a]
Looks like you may need a space between 'acceptormask' and the mask
expression, i.e. "acceptormask :131". Also based on your output it
seems like you might be using an old version of cpptraj - I recommend
upgrading to AmberTools 15.
-Dan
> HBOND: Donor mask is :97, acceptors will be searched for in region specified by acceptormask:131
> Distance cutoff = 3.000, Angle Cutoff = 135.000
> Dumping # Hbond v time results to Nhb.dat
> Dumping Hbond avgs to avdhb.dat
>
>
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Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
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Received on Fri Oct 09 2015 - 08:30:03 PDT
