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 - 04:00:02 PDT
