Mean square displacement calculation of active site water molecules

18 views

Skip to first unread message

unread,

Dec 20, 2023, 5:43:19 AM12/20/23

to mdnalysis-...@googlegroups.com

Dear Experts,

I am trying to calculate MSD using the following tutorial.

Is it mandatory to unwrap the trajectory file? Again is it mandatory to align the trajectory?

Thanking You

Dulal Mondal

unread,

Dec 20, 2023, 11:08:28 AM12/20/23

to mdnalysis-...@googlegroups.com

please any help.

Reply all

Reply to author

Forward

0 new messages