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

From: Ray Luo <rluo.uci.edu> Date: Tue, 1 Jun 2021 11:57:31 -0700

--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical and Materials Physics, Chemical and Biomolecular Engineering,
Biomedical Engineering, and Materials Science and Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Tue, Jun 1, 2021 at 10:38 AM Abdul Basit <meetabasit.gmail.com> wrote:
> 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?
>
> Sincerely
>
> Abdul Basit
> Research Fellow
> School of Computational & Integrative Sciences
> Jawaharlal Nehru University, New Delhi-110067
> India
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