[AMBER] Finding radial distribution function using cpptraj

From: Raghav Arora <RAraghavarora.protonmail.com>
Date: Mon, 25 Nov 2019 11:57:22 +0000

Hello, I am a student who is trying to learn Amber.
I was following the tutorial on room temperature ionic liquid :

After completing the MD, while trying to plot the radial distribution functions, the commands given in the tutorial are:

trajin <trajectory filename>
radial CH3CN_N1 .1 15.0 :ACN.N

I believe the trajectory filename is nothing but md1.nc
Using that when I execute the command:
cpptraj ionicbox.prmtop ptraj.in

Where ptraj.in contains the aforementioned commands.

But I am getting a warning CH3CN_N1 contains no data set, among others
And no file is generated.

Am i making a syntax error?

I am a beginner.
Kindly help.
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Received on Mon Nov 25 2019 - 04:00:02 PST
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