QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on October 27, 2016, 22:01

Title: wrap in MD trajectory
Post by: ramkrishna 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

Title: Re: wrap in MD trajectory
Post by: Anders Blom on October 27, 2016, 23:20

Since 2016 you can right-click in the Movie Tool and select wrap

Title: Re: wrap in MD trajectory
Post by: ramkrishna on October 28, 2016, 16:55

Oh! I didn't check that. Thank you for the information.