Re: [AMBER] pytraj native contacts

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 24 Jan 2019 10:55:04 -0500

On Wed, Jan 23, 2019 at 11:32 AM Hai Nguyen <nhai.qn.gmail.com> wrote:
> > I am not sure if this is doable now in pytraj (and cpptraj?)
> .Dan: Can "writecontacts" dump data to DataSet?

Raw time series contact data creation is triggered by the 'series'
keyword (Data set aspects "NC" and "NN" for native and non-native
contacts respectively). Not sure if that answers your question though.

-Dan

>
> Hai
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Received on Thu Jan 24 2019 - 08:00:06 PST
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