Author Topic: Bonds disappearing after optimisation  (Read 3833 times)

0 Members and 1 Guest are viewing this topic.

Offline hsuya

  • Heavy QuantumATK user
  • ***
  • Posts: 78
  • Country: in
  • Reputation: 0
    • View Profile
Bonds disappearing after optimisation
« on: November 6, 2019, 14:11 »
I tried to run geometry optimization and it converged however all the bonds disappeared.

Offline hsuya

  • Heavy QuantumATK user
  • ***
  • Posts: 78
  • Country: in
  • Reputation: 0
    • View Profile
Re: Bonds disappearing after optimisation
« Reply #1 on: November 6, 2019, 14:12 »
It converged properly however I did not understand why the bonds disappeared.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Bonds disappearing after optimisation
« Reply #2 on: November 6, 2019, 16:18 »
Try to increase Fuzz factor in Graphical properties.