VMD-L Mailing List

From: Hitesh Patel (hiteshpatel379_at_gmail.com)
Date: Mon Nov 14 2011 - 08:48:42 CST

Hello,
I have MD simulations trajectories of 3ns from desmond. but, after 2ns
complex is going out of box. How can I wrap in a way, that everytime
molecule stay at the centre of box.
I tried "pbc wrap -all" but,it makes stretched bonds. After that I tried to
unwrap. and again molecule looks out of box.
What commands should I use ?
Thanks,
Regards,
Hitesh