Did you try adding radiopt=0 to the &pb section of your input file? It tells the system to use whatever PB radii there is in the prmtop file.
Sent from my iPhone
> On Oct 2, 2019, at 6:42 PM, 石娜 <shina14.mails.jlu.edu.cn> wrote:
>
>
> Dear amber developers:
>
> I use 隆庐ZINC PROTEIN SIMULATIONS USING THECATIONIC DUMMY ATOM (CADA)
> APPROACH隆炉 method to produce my protein with Zn2+,but I meet error when I
> calculate mmpbsa, this is:
>
> CalcError:/home/zqc-gpu03/amber16/amber16/bin/mmpbsa_py_energyfailedwith
> prmtop protein-dna-3.prmtop!
>
> PB Bomb in pb_aaradi(): No radius assignedfor atom 3020 D1 DZ
>
> The Zn dummy aton is D1.
>
> I am looking forward for your answers.
>
> Best,
>
> Na Shi
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Received on Wed Oct 02 2019 - 05:00:03 PDT
