[AMBER] Error while setting up constant pH MD simulations

From: Yashraj Kulkarni <yashraj.mit.edu>
Date: Sat, 13 Feb 2021 14:55:57 +0000


I am trying to follow the Constant pH MD simulation tutorial as posted on the AMBER website, and run it on my enzyme system. However, when I run the cpinutil.py code to get the .cpin output file, I get the following error:

AttributeError: ’TitratableResidue’ object has no attribute ’typ’

I tried my best to troubleshoot, but I am not able to understand what’s causing the problem. Could any of you please help me with this?


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Received on Sat Feb 13 2021 - 07:00:02 PST
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