[AMBER] seek help for mmpbsa

From: ╩»─╚ <shina14.mails.jlu.edu.cn>
Date: Wed, 02 Oct 2019 18:42:48 +0800(CST)

   Dear amber developers:

   I use ┬í┬«ZINC PROTEIN SIMULATIONS USING THECATIONIC DUMMY ATOM (CADA)
   APPROACH┬í┬» 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
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