Author Topic: how to know the total time in MD  (Read 4821 times)

holyriver6

  • Newbie
  • *
  • Posts: 5
  • Karma: +0/-0
how to know the total time in MD
« on: March 14, 2014, 01:15:23 PM »
Hello!

After an MD run, how will I know the total time taken in an MD run?

Arnim

  • Developers
  • Sr. Member
  • *
  • Posts: 253
  • Karma: +0/-0
Re: how to know the total time in MD
« Reply #1 on: March 17, 2014, 01:31:47 PM »
Hi,

just take the time of the last step from mdlog.x and multiply by 0.024188 to get the value in femtosec.
E.g. if you have such an entry:
(..)
$current
t=   4000.00000000
(..)
That is 96.752 fs.

Cheers,

Arnim