Re: [AMBER] Finding radial distribution function using cpptraj

From: Daniel Roe <>
Date: Mon, 25 Nov 2019 08:16:02 -0500


On Mon, Nov 25, 2019 at 6:57 AM Raghav Arora
<> wrote:
> But I am getting a warning CH3CN_N1 contains no data set, among others
> And no file is generated.

You should specify the *exact* warning/error messages you are getting;
otherwise we are left to guess what they might be, which makes it
difficult to help. Better yet would be to provide the entire output;
this may contain relevant info that can help diagnose problems,
including the program version.

> Am i making a syntax error?

Not that I can tell. You mention that no file is generated, but you
don't seem to have specified that you want an output file written (via
e.g. 'out myfile.agr' or something).

I recommend that you read the entire manual entry for the cpptraj
'radial' command so you are familiar with all the options, and know
what each keyword does.

Hope this helps,


> I am a beginner.
> Kindly help.
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Received on Mon Nov 25 2019 - 05:30:02 PST
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