[AMBER] Xparmed.py

From: Arun Srikanth <askforarun.gmail.com>
Date: Wed, 24 Sep 2014 09:43:42 -0400

Hello.

I have a question in xparmed.py.

I am using the command printangles in xparmed.py

I want to see only angles that contain both "1 and 2" with all the other
atoms. I am not sure how to set the mask for this

.1-2 or @1.2 implements atom 1 or atom 2. But I want @1 and @2.

Is this possible in parmed.py or cptraj

Thanks
Arun
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Received on Wed Sep 24 2014 - 07:00:03 PDT
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