Author Topic: wrap in MD trajectory  (Read 1981 times)

0 Members and 1 Guest are viewing this topic.

Offline ramkrishna

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 253
  • Country: us
  • Reputation: 5
    • View Profile
wrap in MD trajectory
« on: October 27, 2016, 22:01 »
Hi,
In MD, sometimes atoms cross the periodic boundaries of the cell when we see in the movie tool. To get a better look of the structure, we have to send the snapshots from the movie tool to the builder and wrap the coordinates. Is it possible to include the "wrap" command itself within the "md_trajectory" part so that we can get a better look as well as we can save the movie in a nice fashion?

Thanks
Ramkrishna

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5428
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: wrap in MD trajectory
« Reply #1 on: October 27, 2016, 23:20 »
Since 2016 you can right-click in the Movie Tool and select wrap

Offline ramkrishna

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 253
  • Country: us
  • Reputation: 5
    • View Profile
Re: wrap in MD trajectory
« Reply #2 on: October 28, 2016, 16:55 »
Oh! I didn't check that. Thank you for the information.