[AMBER] radiopt=1 in not working in MMPBSA.py

From: Abdul Basit <meetabasit.gmail.com>
Date: Tue, 1 Jun 2021 23:04:41 +0530

Dear users and developers

I am performing MMPBSA calculations in Amber16, I got the following error

*PB Bomb in pb_aaradi(): No radius assigned for atom 1 N NL*

I have generated topology files using ff15ipq forcefield. Can anybody tell
me the reason?


Abdul Basit
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
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Received on Tue Jun 01 2021 - 11:00:02 PDT
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